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Showing metabocard for 2-Fluoro-araatp (HMDB0245128)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 22:13:50 UTC
Update Date2021-09-26 22:53:24 UTC
HMDB IDHMDB0245128
Secondary Accession NumbersNone
Metabolite Identification
Common Name2-Fluoro-araatp
Description2-Fluoro-araatp belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety. Based on a literature review very few articles have been published on 2-Fluoro-araatp. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2-fluoro-araatp is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2-Fluoro-araatp is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0245128 (2-Fluoro-araatp)


  Mrv1652309112100142D          

 32 34  0  0  0  0            999 V2000
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865    1.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6955    3.4867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4406    4.2713    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2252    4.5263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440    4.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1857    5.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7377    5.6691    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3508    5.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1246    6.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    6.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0348    7.0668    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7798    7.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8194    7.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2502    6.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505    2.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505    0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 25  1  0  0  0  0
  7 26  1  0  0  0  0
  4 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
  3 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
Download

3D MOL for HMDB0245128 (2-Fluoro-araatp)

HMDB0245128
     RDKit          3D
2-Fluoro-araatp
 47 49  0  0  0  0  0  0  0  0999 V2000
   -6.3079    2.5710   -0.8110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0163    1.3067   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7002    0.7578    0.8309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2766   -0.3408    1.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0818   -0.8511    2.5032 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1110   -0.9094    1.1669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3617   -0.3920    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8346    0.7278   -0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391    1.0285   -1.4889 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9539    0.1285   -1.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1983   -0.7194   -0.4187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2470   -1.6639    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2623   -0.7336    0.7081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854   -1.0182    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7302    0.1205   -0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    1.0852    0.6242 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3886    1.5516    0.8476 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1663    0.1738    1.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406    2.1506    2.4714 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411    2.4849   -0.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.7490   -0.8573 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2986    1.5351   -2.3433 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9140    2.7075   -0.6808 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7789    0.2119   -0.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1985    0.0184    0.6625 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.9883    0.2549    2.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7908   -1.5909    0.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4408    1.0160    0.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920   -2.2301   -0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689   -2.0727   -1.9370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556   -2.6823   -0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4685   -3.8916    0.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9215    2.7328   -1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8039    3.4404   -0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0607    0.0284   -2.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6731   -2.0724    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5932   -1.3134    1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0618    0.6030   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761   -0.1591   -0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    2.4115    2.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7586    3.6656   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1902   -1.6828   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6231    1.7590    0.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5866   -3.0190   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319   -1.2991   -2.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9124   -3.0201   -1.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817   -4.5587   -0.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 25 28  1  0
 14 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
  8  2  1  0
 31 12  1  0
 11  7  1  0
  1 33  1  0
  1 34  1  0
 10 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 19 40  1  0
 23 41  1  0
 27 42  1  0
 28 43  1  0
 29 44  1  0
 30 45  1  0
 31 46  1  0
 32 47  1  0
M  END
Download

3D SDF for HMDB0245128 (2-Fluoro-araatp)


  Mrv1652309112100142D          

 32 34  0  0  0  0            999 V2000
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865    1.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6955    3.4867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4406    4.2713    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2252    4.5263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440    4.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1857    5.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7377    5.6691    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3508    5.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1246    6.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    6.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0348    7.0668    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7798    7.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8194    7.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2502    6.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505    2.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505    0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 25  1  0  0  0  0
  7 26  1  0  0  0  0
  4 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
  3 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0245128

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(F)=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)

> <INCHI_KEY>
PIOKUWLZUXUBCO-UHFFFAOYSA-N

> <FORMULA>
C10H15FN5O13P3

> <MOLECULAR_WEIGHT>
525.172

> <EXACT_MASS>
524.98632472

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
38.93042965407319

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.34

> <JCHEM_LOGP>
-2.9539529095112083

> <ALOGPS_LOGS>
-2.02

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5369344532440157

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1092301941205251

> <JCHEM_PKA_STRONGEST_BASIC>
0.49547301958960516

> <JCHEM_POLAR_SURFACE_AREA>
279.12999999999994

> <JCHEM_REFRACTIVITY>
96.6779

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.97e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
({[5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0245128 (2-Fluoro-araatp)

HMDB0245128
     RDKit          3D
2-Fluoro-araatp
 47 49  0  0  0  0  0  0  0  0999 V2000
   -6.3079    2.5710   -0.8110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0163    1.3067   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7002    0.7578    0.8309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2766   -0.3408    1.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0818   -0.8511    2.5032 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1110   -0.9094    1.1669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3617   -0.3920    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8346    0.7278   -0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391    1.0285   -1.4889 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9539    0.1285   -1.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1983   -0.7194   -0.4187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2470   -1.6639    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2623   -0.7336    0.7081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854   -1.0182    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7302    0.1205   -0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    1.0852    0.6242 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3886    1.5516    0.8476 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1663    0.1738    1.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406    2.1506    2.4714 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411    2.4849   -0.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.7490   -0.8573 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2986    1.5351   -2.3433 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9140    2.7075   -0.6808 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7789    0.2119   -0.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1985    0.0184    0.6625 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.9883    0.2549    2.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7908   -1.5909    0.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4408    1.0160    0.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920   -2.2301   -0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689   -2.0727   -1.9370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556   -2.6823   -0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4685   -3.8916    0.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9215    2.7328   -1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8039    3.4404   -0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0607    0.0284   -2.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6731   -2.0724    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5932   -1.3134    1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0618    0.6030   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761   -0.1591   -0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    2.4115    2.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7586    3.6656   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1902   -1.6828   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6231    1.7590    0.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5866   -3.0190   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319   -1.2991   -2.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9124   -3.0201   -1.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817   -4.5587   -0.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 25 28  1  0
 14 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
  8  2  1  0
 31 12  1  0
 11  7  1  0
  1 33  1  0
  1 34  1  0
 10 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 19 40  1  0
 23 41  1  0
 27 42  1  0
 28 43  1  0
 29 44  1  0
 30 45  1  0
 31 46  1  0
 32 47  1  0
M  END
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PDB for HMDB0245128 (2-Fluoro-araatp)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -0.268  -2.549   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -0.268  -0.057   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -0.744   1.408   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.208   1.884   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.208   3.424   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.744   3.899   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.161   2.654   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.268   5.364   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.298   6.509   0.000  0.00  0.00           O+0
HETATM   13  P   UNK     0      -0.822   7.973   0.000  0.00  0.00           P+0
HETATM   14  O   UNK     0      -2.287   8.449   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.642   7.497   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -0.347   9.438   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0      -1.377  10.582   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      -2.521   9.552   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -0.233  11.613   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -2.407  11.727   0.000  0.00  0.00           O+0
HETATM   21  P   UNK     0      -1.932  13.191   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0      -1.456  14.656   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -3.396  13.667   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -0.467  12.715   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -3.454   4.329   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -3.454   0.978   0.000  0.00  0.00           O+0
HETATM   27  N   UNK     0       2.530   0.237   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       3.864  -0.533   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0       3.864  -2.073   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0       2.530  -2.843   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0       2.530  -4.383   0.000  0.00  0.00           N+0
HETATM   32  F   UNK     0       5.198   0.237   0.000  0.00  0.00           F+0
CONECT    1    2    5                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   30                                                  
CONECT    4    3    5   27                                                  
CONECT    5    4    1    6                                                  
CONECT    6    5    7   10                                                  
CONECT    7    6    8   26                                                  
CONECT    8    7    9   25                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9    6                                                       
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21                                                            
CONECT   25    8                                                            
CONECT   26    7                                                            
CONECT   27    4   28                                                       
CONECT   28   27   29   32                                                  
CONECT   29   28   30                                                       
CONECT   30   29    3   31                                                  
CONECT   31   30                                                            
CONECT   32   28                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END
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3D PDB for HMDB0245128 (2-Fluoro-araatp)

COMPND    HMDB0245128
HETATM    1  N1  UNL     1      -6.308   2.571  -0.811  1.00  0.00           N  
HETATM    2  C1  UNL     1      -6.016   1.307  -0.169  1.00  0.00           C  
HETATM    3  N2  UNL     1      -6.700   0.758   0.831  1.00  0.00           N  
HETATM    4  C2  UNL     1      -6.277  -0.341   1.503  1.00  0.00           C  
HETATM    5  F1  UNL     1      -7.082  -0.851   2.503  1.00  0.00           F  
HETATM    6  N3  UNL     1      -5.111  -0.909   1.167  1.00  0.00           N  
HETATM    7  C3  UNL     1      -4.362  -0.392   0.148  1.00  0.00           C  
HETATM    8  C4  UNL     1      -4.835   0.728  -0.523  1.00  0.00           C  
HETATM    9  N4  UNL     1      -3.939   1.029  -1.489  1.00  0.00           N  
HETATM   10  C5  UNL     1      -2.954   0.129  -1.407  1.00  0.00           C  
HETATM   11  N5  UNL     1      -3.198  -0.719  -0.419  1.00  0.00           N  
HETATM   12  C6  UNL     1      -2.247  -1.664   0.189  1.00  0.00           C  
HETATM   13  O1  UNL     1      -1.262  -0.734   0.708  1.00  0.00           O  
HETATM   14  C7  UNL     1      -0.085  -1.018   0.195  1.00  0.00           C  
HETATM   15  C8  UNL     1       0.730   0.121  -0.412  1.00  0.00           C  
HETATM   16  O2  UNL     1       0.798   1.085   0.624  1.00  0.00           O  
HETATM   17  P1  UNL     1       2.389   1.552   0.848  1.00  0.00           P  
HETATM   18  O3  UNL     1       3.166   0.174   1.028  1.00  0.00           O  
HETATM   19  O4  UNL     1       2.441   2.151   2.471  1.00  0.00           O  
HETATM   20  O5  UNL     1       3.141   2.485  -0.238  1.00  0.00           O  
HETATM   21  P2  UNL     1       4.569   1.749  -0.857  1.00  0.00           P  
HETATM   22  O6  UNL     1       4.299   1.535  -2.343  1.00  0.00           O  
HETATM   23  O7  UNL     1       5.914   2.708  -0.681  1.00  0.00           O  
HETATM   24  O8  UNL     1       4.779   0.212  -0.189  1.00  0.00           O  
HETATM   25  P3  UNL     1       6.199   0.018   0.662  1.00  0.00           P  
HETATM   26  O9  UNL     1       5.988   0.255   2.158  1.00  0.00           O  
HETATM   27  O10 UNL     1       6.791  -1.591   0.561  1.00  0.00           O  
HETATM   28  O11 UNL     1       7.441   1.016   0.172  1.00  0.00           O  
HETATM   29  C9  UNL     1      -0.092  -2.230  -0.632  1.00  0.00           C  
HETATM   30  O12 UNL     1       0.269  -2.073  -1.937  1.00  0.00           O  
HETATM   31  C10 UNL     1      -1.556  -2.682  -0.542  1.00  0.00           C  
HETATM   32  O13 UNL     1      -1.469  -3.892   0.255  1.00  0.00           O  
HETATM   33  H1  UNL     1      -6.922   2.733  -1.563  1.00  0.00           H  
HETATM   34  H2  UNL     1      -5.804   3.440  -0.354  1.00  0.00           H  
HETATM   35  H3  UNL     1      -2.061   0.028  -2.024  1.00  0.00           H  
HETATM   36  H4  UNL     1      -2.673  -2.072   1.134  1.00  0.00           H  
HETATM   37  H5  UNL     1       0.593  -1.313   1.137  1.00  0.00           H  
HETATM   38  H6  UNL     1       0.062   0.603  -1.195  1.00  0.00           H  
HETATM   39  H7  UNL     1       1.676  -0.159  -0.816  1.00  0.00           H  
HETATM   40  H8  UNL     1       1.475   2.412   2.747  1.00  0.00           H  
HETATM   41  H9  UNL     1       5.759   3.666  -0.611  1.00  0.00           H  
HETATM   42  H10 UNL     1       7.190  -1.683  -0.318  1.00  0.00           H  
HETATM   43  H11 UNL     1       7.623   1.759   0.821  1.00  0.00           H  
HETATM   44  H12 UNL     1       0.587  -3.019  -0.189  1.00  0.00           H  
HETATM   45  H13 UNL     1      -0.032  -1.299  -2.411  1.00  0.00           H  
HETATM   46  H14 UNL     1      -1.912  -3.020  -1.521  1.00  0.00           H  
HETATM   47  H15 UNL     1      -0.982  -4.559  -0.313  1.00  0.00           H  
CONECT    1    2   33   34
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    6    6
CONECT    6    7
CONECT    7    8    8   11
CONECT    8    9
CONECT    9   10   10
CONECT   10   11   35
CONECT   11   12
CONECT   12   13   31   36
CONECT   13   14
CONECT   14   15   29   37
CONECT   15   16   38   39
CONECT   16   17
CONECT   17   18   18   19   20
CONECT   19   40
CONECT   20   21
CONECT   21   22   22   23   24
CONECT   23   41
CONECT   24   25
CONECT   25   26   26   27   28
CONECT   27   42
CONECT   28   43
CONECT   29   30   31   44
CONECT   30   45
CONECT   31   32   46
CONECT   32   47
END
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SMILES for HMDB0245128 (2-Fluoro-araatp)

NC1=NC(F)=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
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INCHI for HMDB0245128 (2-Fluoro-araatp)

InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
({[({[5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonateHMDB
Chemical FormulaC10H15FN5O13P3
Average Molecular Weight525.172
Monoisotopic Molecular Weight524.98632472
IUPAC Name({[({[5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Name({[5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
NC1=NC(F)=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
InChI Identifier
InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)
InChI KeyPIOKUWLZUXUBCO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside triphosphates
Alternative Parents
Substituents
  • Purine ribonucleoside triphosphate
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • 2-halopyrimidine
  • Halopyrimidine
  • Monoalkyl phosphate
  • Aryl fluoride
  • Aryl halide
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Imidolactam
  • Alkyl phosphate
  • Phosphoric acid ester
  • Pyrimidine
  • Azole
  • Oxolane
  • Heteroaromatic compound
  • Imidazole
  • Secondary alcohol
  • 1,2-diol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organonitrogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Amine
  • Organohalogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Primary amine
  • Organofluoride
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.34ALOGPS
logP-3ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)1.11ChemAxon
pKa (Strongest Basic)0.5ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area279.13 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity96.68 m³·mol⁻¹ChemAxon
Polarizability38.93 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+178.7130932474
DeepCCS[M-H]-175.4530932474
DeepCCS[M-2H]-211.31930932474
DeepCCS[M+Na]+187.14130932474
AllCCS[M+H]+201.032859911
AllCCS[M+H-H2O]+199.332859911
AllCCS[M+NH4]+202.632859911
AllCCS[M+Na]+203.132859911
AllCCS[M-H]-191.432859911
AllCCS[M+Na-2H]-191.632859911
AllCCS[M+HCOO]-192.032859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 202210.6022 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20229.7 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid556.6 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid230.6 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid24.7 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid158.6 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid73.9 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid338.5 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid328.0 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)799.3 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid573.8 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid127.3 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid669.7 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid180.2 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid219.0 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate773.4 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA362.7 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water595.7 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-Fluoro-araatpNC1=NC(F)=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O4665.3Standard polar33892256
2-Fluoro-araatpNC1=NC(F)=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O2771.0Standard non polar33892256
2-Fluoro-araatpNC1=NC(F)=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O4325.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-Fluoro-araatp,3TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3930.3Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3632.7Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C6396.8Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3919.3Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3699.2Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O6293.2Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #11C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3948.8Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #11C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3755.4Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #11C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O6273.9Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #12C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3984.8Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #12C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3834.8Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #12C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O6371.9Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #13C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N)N=C(F)N=C213935.7Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #13C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N)N=C(F)N=C213761.0Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #13C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N)N=C(F)N=C216274.4Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #14C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213914.3Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #14C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213743.5Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #14C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C216282.0Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #15C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O)C1O[Si](C)(C)C3972.2Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #15C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O)C1O[Si](C)(C)C3785.2Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #15C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O)C1O[Si](C)(C)C6252.0Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #16C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213913.6Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #16C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213752.7Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #16C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C216296.4Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #17C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C3967.6Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #17C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C3785.6Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #17C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C6231.7Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #18C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213915.9Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #18C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213714.7Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #18C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C216305.8Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #19C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3948.5Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #19C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3772.5Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #19C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C6285.7Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3930.2Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3636.8Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C6420.2Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #20C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213980.9Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #20C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213851.8Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #20C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C216382.7Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C3955.1Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C3837.2Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C6158.1Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #22C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O3996.7Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #22C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O3905.7Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #22C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O6043.6Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #23C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3957.4Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #23C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3793.6Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #23C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C6183.2Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #24C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O3983.0Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #24C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O3883.7Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #24C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O6106.1Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #25C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O)O4016.6Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #25C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O)O3969.4Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #25C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O)O6190.6Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #26C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O3952.0Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #26C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O3800.7Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #26C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O6191.6Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #27C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O3976.1Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #27C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O3899.3Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #27C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O6083.1Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #28C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O4012.2Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #28C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O3980.5Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #28C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O6155.4Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #29C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O3991.7Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #29C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O3864.2Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #29C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O6125.3Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3902.1Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3629.0Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C6414.6Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #30C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O4004.3Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #30C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O3961.3Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #30C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O6227.4Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #4C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3966.0Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #4C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3666.1Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #4C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C6415.2Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3942.3Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3738.3Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O6261.2Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3919.2Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3721.5Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O6267.6Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #7C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O3975.1Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #7C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O3763.5Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #7C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O6235.5Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3915.7Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3736.9Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O6285.0Standard polar33892256
2-Fluoro-araatp,3TMS,isomer #9C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O3966.7Semi standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #9C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O3769.4Standard non polar33892256
2-Fluoro-araatp,3TMS,isomer #9C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O6220.2Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3868.8Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3651.6Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C6028.7Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #10C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O3924.8Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #10C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O3800.9Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #10C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O5749.5Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3857.4Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3695.6Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O5952.1Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #12C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3910.1Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #12C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3783.5Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #12C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5831.7Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3929.2Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3866.4Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O5846.5Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #14C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3856.4Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #14C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3704.4Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #14C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O5939.3Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #15C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3904.2Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #15C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3797.3Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #15C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5785.1Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #16C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3918.0Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #16C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3875.3Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #16C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O5791.7Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #17C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3911.8Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #17C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3765.2Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #17C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5852.6Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3911.6Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3867.4Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O5884.5Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213851.4Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213769.0Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C215921.1Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3852.0Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3637.1Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C6058.1Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #20C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C3919.9Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #20C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C3826.3Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #20C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C5766.1Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213851.8Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213722.5Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C215964.9Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #22C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3909.2Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #22C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3808.3Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #22C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5848.7Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213923.0Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213894.2Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C215863.8Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #24C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213852.9Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #24C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213725.6Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #24C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C215949.1Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #25C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3903.2Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #25C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3817.4Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #25C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5795.4Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213913.7Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213895.6Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C215802.9Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #27C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3911.3Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #27C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3784.6Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #27C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5863.9Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #28C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213910.5Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #28C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213889.3Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #28C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C215895.9Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #29C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3878.0Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #29C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3798.8Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #29C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5810.3Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #3C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3922.4Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #3C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3699.2Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #3C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5938.1Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #30C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O3929.2Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #30C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O3913.4Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #30C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O5637.8Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #31C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3950.9Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #31C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3995.9Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #31C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5648.7Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #32C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O3944.3Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #32C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O3874.4Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #32C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O5694.5Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C3945.5Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C3977.4Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C5741.3Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #34C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O3934.7Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #34C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O3882.6Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #34C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O5661.8Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O3941.5Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O3992.7Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O5685.9Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #36C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O3952.7Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #36C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O3959.0Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #36C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O5755.6Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #4C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3854.3Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #4C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3651.1Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #4C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C6050.4Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #5C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3909.4Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #5C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3704.2Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #5C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5886.8Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3847.7Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3614.5Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C6079.7Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #7C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3895.0Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #7C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3698.2Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #7C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5973.4Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C3909.4Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C3779.1Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C5996.4Standard polar33892256
2-Fluoro-araatp,4TMS,isomer #9C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3857.7Semi standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #9C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3741.7Standard non polar33892256
2-Fluoro-araatp,4TMS,isomer #9C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O5908.0Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3815.4Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3657.0Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C5700.1Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C3866.3Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C3786.4Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C5582.0Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3823.1Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O3709.0Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O5578.2Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #12C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3879.6Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #12C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3814.4Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #12C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5356.1Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3896.8Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3884.4Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O5348.9Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #14C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3887.9Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #14C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3769.7Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #14C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5436.1Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #15C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3888.9Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #15C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3866.1Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #15C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O5464.6Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #16C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3881.6Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #16C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3780.4Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #16C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5383.6Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #17C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3883.8Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #17C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3884.6Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #17C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O5382.7Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3892.2Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O3849.3Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O5483.6Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213819.4Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C213730.9Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C215593.7Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #2C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3874.5Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #2C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3725.4Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #2C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5449.2Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #20C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3880.7Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #20C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3840.1Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #20C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5371.8Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213891.5Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213911.9Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C215365.2Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #22C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3888.2Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #22C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3795.5Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #22C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5452.2Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213885.6Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213895.8Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C215481.5Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #24C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3884.8Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #24C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3800.4Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #24C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5392.4Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #25C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213882.6Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #25C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213907.5Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #25C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C215391.3Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213891.4Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C213874.4Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C215493.9Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #27C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O3917.3Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #27C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O3885.6Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #27C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O5214.4Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #28C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C3915.2Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #28C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C3981.8Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #28C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C5251.5Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #29C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3929.5Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #29C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3942.5Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #29C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5332.3Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3816.4Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3608.7Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C5756.6Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #30C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O3921.4Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #30C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O3953.5Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #30C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C(O)C1O5273.0Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #4C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3855.9Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #4C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3712.8Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #4C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5566.1Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C3885.7Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C3783.9Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C5551.5Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3811.6Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C3618.5Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C5728.9Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #7C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3852.4Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #7C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3726.6Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #7C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5479.8Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C3877.1Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C3790.7Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(F)N=C32)C1O[Si](C)(C)C5462.9Standard polar33892256
2-Fluoro-araatp,5TMS,isomer #9C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3854.1Semi standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #9C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3694.0Standard non polar33892256
2-Fluoro-araatp,5TMS,isomer #9C[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5583.5Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C(C)(C)C4477.5Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C(C)(C)C4078.3Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C(C)(C)C6480.5Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O4494.0Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O4118.2Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O6404.1Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4521.6Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4234.4Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O6334.6Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C1O4468.8Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C1O4279.1Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C1O6327.4Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N)N=C(F)N=C214487.0Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N)N=C(F)N=C214188.7Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N)N=C(F)N=C216360.1Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C214484.2Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C214181.8Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C216378.8Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C4525.1Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C4257.9Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C6326.3Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C214480.9Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C214186.1Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C216371.6Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C4522.8Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C4254.0Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C6282.2Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C214495.9Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C214143.9Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=C(F)N=C216415.1Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4523.2Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4258.6Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C6345.3Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C(C)(C)C4469.6Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C(C)(C)C4082.0Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C(C)(C)C6483.3Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C214466.4Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C214302.4Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C216337.7Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C(C)(C)C4512.0Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C(C)(C)C4242.2Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)O[Si](C)(C)C(C)(C)C6242.3Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O4549.0Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O4346.0Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O6149.2Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4527.6Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4187.4Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C6301.7Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O4538.6Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O4335.2Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O6219.2Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O)O4491.3Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O)O4373.0Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C(O)C1O)OP(=O)(O)OP(=O)(O)O6221.5Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O4518.0Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O4196.2Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=C(F)N=C32)C(O)C1O6286.7Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O4539.3Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O4348.4Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O6174.7Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C(O)C1O4489.7Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C(O)C1O4379.4Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C(O)C1O6166.0Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O4543.4Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O4297.5Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O6247.5Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C(C)(C)C4465.2Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C(C)(C)C4085.1Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O[Si](C)(C)C(C)(C)C6491.2Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C(O)C1O4478.9Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C(O)C1O4377.3Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(F)N=C32)C(O)C1O6242.9Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4504.9Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4142.3Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C6420.8Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O4488.7Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O4160.7Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O6346.5Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O4484.4Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O4150.7Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O6365.2Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O4528.1Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O4230.0Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O6310.1Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O4480.1Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O4163.2Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=C(F)N=C32)C1O6361.0Standard polar33892256
2-Fluoro-araatp,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O4523.7Semi standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O4233.1Standard non polar33892256
2-Fluoro-araatp,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(F)=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O6272.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Fluoro-araatp GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Fluoro-araatp 10V, Positive-QTOFsplash10-004i-0100090000-f0fa13131ad8b0bd78012021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Fluoro-araatp 20V, Positive-QTOFsplash10-0v00-0936250000-379fac68022e6f04b4f32021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Fluoro-araatp 40V, Positive-QTOFsplash10-0udi-0900000000-03b090331e892854cb002021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Fluoro-araatp 10V, Negative-QTOFsplash10-00di-0101090000-80c7fe4a746de5c056c32021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Fluoro-araatp 20V, Negative-QTOFsplash10-00b9-9300470000-4677125eff0c55fff01d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Fluoro-araatp 40V, Negative-QTOFsplash10-004i-9100100000-f78e79b8cc0f1a8ec4702021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID14046510
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound22921617
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]