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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 18:43:46 UTC

Update Date

2021-09-26 23:14:13 UTC

HMDB ID

HMDB0257693

Secondary Accession Numbers

None

Metabolite Identification

Common Name

[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Description

5'-Guanylic acid, also known as 5'-guanylate, belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. 5'-Guanylic acid is an odorless tasting compound. 5'-Guanylic acid is found, on average, in the highest concentration within milk (cow). This could make 5'-guanylic acid a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 5'-Guanylic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). [(2r,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate 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

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0257693
     RDKit          3D
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihy...
 38 40  0  0  0  0  0  0  0  0999 V2000
   -4.5255    1.4354    2.3117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2637    1.0675    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2415    1.0107    0.2045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0070    0.5751   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0679    0.5354   -1.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7508    0.1795   -1.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1634   -0.3067   -2.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -0.5227   -2.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973   -0.1858   -0.9972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -0.2037   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -0.5141   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556   -0.4310   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -0.5942   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.6744    0.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6348    0.3815 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1243    1.9296   -0.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    0.7195    2.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773    0.6561   -0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327   -0.9370    0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -2.0405    1.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057   -1.1824    0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -0.9040    1.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7403    0.2529   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0131    0.6940    0.8028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7945    1.4906    3.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5159    1.4378   -2.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855   -0.9188   -2.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369    0.8578   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.7746   -0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    0.1800   -1.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -1.6033   -1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    1.6457    2.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3498    0.5920   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -0.1068    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -2.4544    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350   -2.2064    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -1.6691    2.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580    0.7863    1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 12 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  9 23  1  0
 23 24  1  0
 24  2  1  0
 23  6  2  0
 21 10  1  0
  1 25  1  0
  5 26  1  0
  8 27  1  0
 10 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 17 32  1  0
 18 33  1  0
 19 34  1  0
 20 35  1  0
 21 36  1  0
 22 37  1  0
 24 38  1  0
M  END


  Mrv1652305221920202D          

 24 26  0  0  0  0            999 V2000
   -1.8505   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -3.2299    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
   -0.3984   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -2.8174    0.0000 C   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
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 N   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
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 N   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
   -0.1435   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -4.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -3.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867   -4.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -3.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716   -3.8642    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  2  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 15  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 22  1  1  0  0  0  0
 23  3  1  0  0  0  0
 23  9  1  0  0  0  0
 24 19  1  0  0  0  0
 24 20  1  0  0  0  0
 24 21  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0257693

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(COP(O)(O)=O)OC(C1O)N1C=NC2=C1NC(=N)N=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)

> <INCHI_KEY>
RQFCJASXJCIDSX-UHFFFAOYSA-N

> <FORMULA>
C10H14N5O8P

> <MOLECULAR_WEIGHT>
363.2206

> <EXACT_MASS>
363.057998961

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
31.112634224690886

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-1.92

> <JCHEM_LOGP>
-3.6535056184614927

> <ALOGPS_LOGS>
-2.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.8572938808150425

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2168836442623872

> <JCHEM_PKA_STRONGEST_BASIC>
2.972673219316864

> <JCHEM_POLAR_SURFACE_AREA>
202.73999999999998

> <JCHEM_REFRACTIVITY>
86.07509999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.63e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3,4-dihydroxy-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0257693
     RDKit          3D
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihy...
 38 40  0  0  0  0  0  0  0  0999 V2000
   -4.5255    1.4354    2.3117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2637    1.0675    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2415    1.0107    0.2045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0070    0.5751   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0679    0.5354   -1.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7508    0.1795   -1.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1634   -0.3067   -2.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -0.5227   -2.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973   -0.1858   -0.9972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -0.2037   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -0.5141   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556   -0.4310   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -0.5942   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.6744    0.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6348    0.3815 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1243    1.9296   -0.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    0.7195    2.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773    0.6561   -0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327   -0.9370    0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -2.0405    1.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057   -1.1824    0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -0.9040    1.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7403    0.2529   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0131    0.6940    0.8028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7945    1.4906    3.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5159    1.4378   -2.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855   -0.9188   -2.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369    0.8578   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.7746   -0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    0.1800   -1.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -1.6033   -1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    1.6457    2.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3498    0.5920   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -0.1068    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -2.4544    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350   -2.2064    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -1.6691    2.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580    0.7863    1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 12 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  9 23  1  0
 23 24  1  0
 24  2  1  0
 23  6  2  0
 21 10  1  0
  1 25  1  0
  5 26  1  0
  8 27  1  0
 10 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 17 32  1  0
 18 33  1  0
 19 34  1  0
 20 35  1  0
 21 36  1  0
 22 37  1  0
 24 38  1  0
M  END

HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  C   UNK     0      -3.454  -6.934   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.208  -6.029   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  C   UNK     0      -0.744  -6.505   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.161  -5.259   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.744  -4.013   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       5.198  -2.843   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      -0.268  -0.057   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       2.530  -2.843   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       3.864  -0.533   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      -0.268  -2.549   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      -0.268  -7.970   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       1.701  -5.259   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.530   1.777   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -7.353  -8.118   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -7.012  -5.967   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.202  -8.459   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.861  -6.308   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.208  -4.489   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0      -6.107  -7.213   0.000  0.00  0.00           P+0
CONECT    1    3   22                                                       
CONECT    2   12   15                                                       
CONECT    3    1    5   23                                                  
CONECT    4    7    8   12                                                  
CONECT    5    3    6   16                                                  
CONECT    6    5    9   17                                                  
CONECT    7    4   13   15                                                  
CONECT    8    4   14   18                                                  
CONECT    9    6   15   23                                                  
CONECT   10   11   13   14                                                  
CONECT   11   10                                                            
CONECT   12    2    4                                                       
CONECT   13    7   10                                                       
CONECT   14    8   10                                                       
CONECT   15    2    7    9                                                  
CONECT   16    5                                                            
CONECT   17    6                                                            
CONECT   18    8                                                            
CONECT   19   24                                                            
CONECT   20   24                                                            
CONECT   21   24                                                            
CONECT   22    1   24                                                       
CONECT   23    3    9                                                       
CONECT   24   19   20   21   22                                             
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

COMPND    HMDB0257693
HETATM    1  N1  UNL     1      -4.525   1.435   2.312  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.264   1.068   1.117  1.00  0.00           C  
HETATM    3  N2  UNL     1      -5.241   1.011   0.205  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.007   0.575  -1.041  1.00  0.00           C  
HETATM    5  O1  UNL     1      -6.068   0.535  -1.957  1.00  0.00           O  
HETATM    6  C3  UNL     1      -3.751   0.179  -1.396  1.00  0.00           C  
HETATM    7  N3  UNL     1      -3.163  -0.307  -2.504  1.00  0.00           N  
HETATM    8  C4  UNL     1      -1.877  -0.523  -2.258  1.00  0.00           C  
HETATM    9  N4  UNL     1      -1.597  -0.186  -0.997  1.00  0.00           N  
HETATM   10  C5  UNL     1      -0.319  -0.204  -0.391  1.00  0.00           C  
HETATM   11  O2  UNL     1       0.680  -0.514  -1.382  1.00  0.00           O  
HETATM   12  C6  UNL     1       1.756  -0.431  -0.607  1.00  0.00           C  
HETATM   13  C7  UNL     1       3.154  -0.594  -1.142  1.00  0.00           C  
HETATM   14  O3  UNL     1       3.902  -0.674   0.055  1.00  0.00           O  
HETATM   15  P1  UNL     1       4.850   0.635   0.382  1.00  0.00           P  
HETATM   16  O4  UNL     1       4.124   1.930  -0.076  1.00  0.00           O  
HETATM   17  O5  UNL     1       4.853   0.719   2.111  1.00  0.00           O  
HETATM   18  O6  UNL     1       6.377   0.656  -0.214  1.00  0.00           O  
HETATM   19  C8  UNL     1       1.533  -0.937   0.773  1.00  0.00           C  
HETATM   20  O7  UNL     1       2.232  -2.040   1.121  1.00  0.00           O  
HETATM   21  C9  UNL     1      -0.006  -1.182   0.681  1.00  0.00           C  
HETATM   22  O8  UNL     1      -0.545  -0.904   1.938  1.00  0.00           O  
HETATM   23  C10 UNL     1      -2.740   0.253  -0.429  1.00  0.00           C  
HETATM   24  N5  UNL     1      -3.013   0.694   0.803  1.00  0.00           N  
HETATM   25  H1  UNL     1      -3.794   1.491   3.025  1.00  0.00           H  
HETATM   26  H2  UNL     1      -6.516   1.438  -2.213  1.00  0.00           H  
HETATM   27  H3  UNL     1      -1.185  -0.919  -2.999  1.00  0.00           H  
HETATM   28  H4  UNL     1      -0.037   0.858  -0.045  1.00  0.00           H  
HETATM   29  H5  UNL     1       1.776   0.775  -0.427  1.00  0.00           H  
HETATM   30  H6  UNL     1       3.466   0.180  -1.795  1.00  0.00           H  
HETATM   31  H7  UNL     1       3.257  -1.603  -1.646  1.00  0.00           H  
HETATM   32  H8  UNL     1       4.714   1.646   2.329  1.00  0.00           H  
HETATM   33  H9  UNL     1       6.350   0.592  -1.197  1.00  0.00           H  
HETATM   34  H10 UNL     1       1.626  -0.107   1.529  1.00  0.00           H  
HETATM   35  H11 UNL     1       1.874  -2.454   1.942  1.00  0.00           H  
HETATM   36  H12 UNL     1      -0.135  -2.206   0.374  1.00  0.00           H  
HETATM   37  H13 UNL     1      -0.480  -1.669   2.498  1.00  0.00           H  
HETATM   38  H14 UNL     1      -2.258   0.786   1.525  1.00  0.00           H  
CONECT    1    2    2   25
CONECT    2    3   24
CONECT    3    4    4
CONECT    4    5    6
CONECT    5   26
CONECT    6    7   23   23
CONECT    7    8    8
CONECT    8    9   27
CONECT    9   10   23
CONECT   10   11   21   28
CONECT   11   12
CONECT   12   13   19   29
CONECT   13   14   30   31
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   32
CONECT   18   33
CONECT   19   20   21   34
CONECT   20   35
CONECT   21   22   36
CONECT   22   37
CONECT   23   24
CONECT   24   38
END

HMDB0257693
     RDKit          3D
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihy...
 38 40  0  0  0  0  0  0  0  0999 V2000
   -4.5255    1.4354    2.3117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2637    1.0675    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2415    1.0107    0.2045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0070    0.5751   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0679    0.5354   -1.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7508    0.1795   -1.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1634   -0.3067   -2.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -0.5227   -2.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973   -0.1858   -0.9972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -0.2037   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -0.5141   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556   -0.4310   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -0.5942   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.6744    0.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6348    0.3815 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1243    1.9296   -0.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    0.7195    2.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773    0.6561   -0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327   -0.9370    0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -2.0405    1.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057   -1.1824    0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -0.9040    1.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7403    0.2529   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0131    0.6940    0.8028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7945    1.4906    3.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5159    1.4378   -2.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855   -0.9188   -2.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369    0.8578   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.7746   -0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    0.1800   -1.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -1.6033   -1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    1.6457    2.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3498    0.5920   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -0.1068    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -2.4544    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350   -2.2064    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -1.6691    2.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580    0.7863    1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 12 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  9 23  1  0
 23 24  1  0
 24  2  1  0
 23  6  2  0
 21 10  1  0
  1 25  1  0
  5 26  1  0
  8 27  1  0
 10 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 17 32  1  0
 18 33  1  0
 19 34  1  0
 20 35  1  0
 21 36  1  0
 22 37  1  0
 24 38  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
5'-Guanylate	Generator

Chemical Formula

C₁₀H₁₄N₅O₈P

Average Molecular Weight

363.2206

Monoisotopic Molecular Weight

363.057998961

IUPAC Name

{[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

Traditional Name

[3,4-dihydroxy-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic acid

CAS Registry Number

Not Available

SMILES

OC1C(COP(O)(O)=O)OC(C1O)N1C=NC2=C1NC(=N)N=C2O

InChI Identifier

InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)

InChI Key

RQFCJASXJCIDSX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside monophosphates

Alternative Parents

Substituents

Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Monosaccharide phosphate
Pentose monosaccharide
Imidazopyrimidine
Purine
Aminopyrimidine
Monoalkyl phosphate
Pyrimidone
Alkyl phosphate
Pyrimidine
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Tetrahydrofuran
Azole
Imidazole
Heteroaromatic compound
Vinylogous amide
1,2-diol
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Primary amine
Organic nitrogen compound
Amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Alcohol
Organonitrogen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-1.9	ALOGPS
logP	-3.7	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	2.97	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	202.74 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	86.08 m³·mol⁻¹	ChemAxon
Polarizability	31.11 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	173.911	30932474
DeepCCS	[M-H]-	171.553	30932474
DeepCCS	[M-2H]-	204.438	30932474
DeepCCS	[M+Na]+	180.004	30932474
AllCCS	[M+H]+	177.8	32859911
AllCCS	[M+H-H2O]+	174.9	32859911
AllCCS	[M+NH4]+	180.5	32859911
AllCCS	[M+Na]+	181.2	32859911
AllCCS	[M-H]-	172.4	32859911
AllCCS	[M+Na-2H]-	171.9	32859911
AllCCS	[M+HCOO]-	171.5	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022.	2.81 minutes	32390414
Predicted by Siyang on May 30, 2022	10.3049 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.22 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	441.2 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	265.1 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	29.0 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	161.7 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	83.2 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	351.4 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	255.9 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	899.4 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	576.7 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	52.7 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	709.0 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	171.8 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	223.4 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	860.7 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	488.3 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	484.6 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate	OC1C(COP(O)(O)=O)OC(C1O)N1C=NC2=C1NC(=N)N=C2O	4259.5	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate	OC1C(COP(O)(O)=O)OC(C1O)N1C=NC2=C1NC(=N)N=C2O	2720.4	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate	OC1C(COP(O)(O)=O)OC(C1O)N1C=NC2=C1NC(=N)N=C2O	3557.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3199.0	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3029.8	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4640.9	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	3294.8	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	3186.5	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	4524.7	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3247.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3245.6	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	4813.5	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	3228.2	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	3237.6	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	4374.8	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O	3318.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O	3270.9	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O	4405.5	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	3285.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	3258.5	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	4634.8	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3195.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3093.5	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4558.3	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	3122.3	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	3242.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	4729.6	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3196.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3244.6	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4816.5	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3118.5	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3299.5	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	5019.8	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	3223.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	3261.4	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	4395.2	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3089.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3211.8	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	4874.1	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N([Si](C)(C)C)C(=N)N=C2O	3309.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N([Si](C)(C)C)C(=N)N=C2O	3280.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N([Si](C)(C)C)C(=N)N=C2O	4423.7	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3283.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3270.4	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	4646.9	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O)C=N2	3135.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O)C=N2	3349.0	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O)C=N2	4568.9	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3230.9	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3358.4	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	4658.3	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	3178.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	3348.6	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	4802.0	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	3305.0	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	3367.7	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	4484.3	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3140.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3171.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4974.4	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3201.0	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3080.7	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4539.5	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	3126.3	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	3223.4	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	4716.9	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3203.9	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3237.4	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4805.6	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	3129.9	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	3294.1	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	5010.9	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C	3302.8	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C	3042.0	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C	4215.6	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3229.7	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3171.0	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	4494.5	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3174.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3000.8	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4222.6	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3260.0	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3183.5	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	4256.9	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	3276.8	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	3228.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	4164.6	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	3126.8	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	3210.5	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	4274.2	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3217.3	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3204.8	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4368.2	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3178.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3231.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	4448.9	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3264.9	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3244.0	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	4184.0	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	3201.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	3304.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	4318.5	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3115.9	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3136.2	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	4343.1	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3201.1	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3133.8	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4440.1	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3129.7	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3221.2	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	4549.4	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	3136.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	3188.0	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	4254.1	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3225.5	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3191.5	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4349.6	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	3189.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	3218.2	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	4437.7	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3200.3	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3134.2	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	4037.1	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	3291.1	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	3148.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	4069.4	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3126.5	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3111.7	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	3951.2	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3232.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3106.0	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4042.9	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #3	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3183.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #3	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3161.9	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #3	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	4086.2	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #4	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	3203.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #4	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	3195.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #4	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	4029.0	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #5	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3256.7	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #5	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3165.4	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #5	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3865.7	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #6	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3184.9	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #6	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3212.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #6	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	4046.8	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,7TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3206.0	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,7TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3150.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,7TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	3773.1	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3927.3	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3767.4	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4750.2	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C(C)(C)C	4016.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C(C)(C)C	3905.2	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C(C)(C)C	4557.6	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C	4006.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C	4009.5	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C	4762.4	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C=N2	3986.0	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C=N2	3902.7	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C=N2	4514.0	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C(=N)N=C3O)C1O	4042.9	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C(=N)N=C3O)C1O	3917.6	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C(=N)N=C3O)C1O	4496.0	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	4031.9	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	4003.6	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	4650.2	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3928.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3779.6	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4704.2	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C=N2	3882.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C=N2	3960.5	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C=N2	4752.8	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3962.9	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3938.7	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4794.3	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C	3899.2	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C	4044.6	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C	4898.1	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C=N2	3980.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C=N2	3934.1	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C=N2	4532.0	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C=N2	3830.2	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C=N2	3933.5	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C=N2	4845.0	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N([Si](C)(C)C(C)(C)C)C(=N)N=C2O	4035.0	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N([Si](C)(C)C(C)(C)C)C(=N)N=C2O	3931.2	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N([Si](C)(C)C(C)(C)C)C(=N)N=C2O	4513.6	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C	4024.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C	4023.6	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C	4660.7	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O)C=N2	3897.2	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O)C=N2	3972.7	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O)C=N2	4668.5	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	3961.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	3954.1	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	4711.8	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	3949.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	4046.9	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	4773.3	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	4049.8	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	4039.1	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	4582.2	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3914.9	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3896.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4891.8	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3939.6	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3753.9	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4685.5	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C=N2	3892.7	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C=N2	3931.0	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C=N2	4741.8	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3974.5	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3925.1	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4784.2	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	3914.7	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	4031.8	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C3O)C=N2)N1[Si](C)(C)C(C)(C)C	4891.0	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C(C)(C)C	3997.3	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C(C)(C)C	3747.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C(C)(C)C	4424.7	Standard polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C=N2	3961.4	Semi standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C=N2	3894.3	Standard non polar	33892256
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C=N2	4580.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9613000000-25af1e68cd06f009e02f	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_3_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate 10V, Positive-QTOF	splash10-0udi-0913000000-001b1f57c165727e68e8	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate 20V, Positive-QTOF	splash10-0udi-0900000000-3608dda512a53dd81925	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate 40V, Positive-QTOF	splash10-0udi-1900000000-3ba27baa7aebb3284a40	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate 10V, Negative-QTOF	splash10-0imi-7709000000-b26de7b66118aa84258c	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate 20V, Negative-QTOF	splash10-0fb9-9800000000-0ceb7a9ad670c9ebca71	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate 40V, Negative-QTOF	splash10-004i-9200000000-a1c937f9b36b1be1da4c	2015-09-15	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB012390

KNApSAcK ID

Not Available

Chemspider ID

741

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Guanosine monophosphate

METLIN ID

Not Available

PubChem Compound

135400774

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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 ]

Showing metabocard for [(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (HMDB0257693)

MOL for HMDB0257693 ([(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate)

3D MOL for HMDB0257693 ([(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate)

3D SDF for HMDB0257693 ([(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate)

3D-SDF for HMDB0257693 ([(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate)

PDB for HMDB0257693 ([(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate)

3D PDB for HMDB0257693 ([(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate)

SMILES for HMDB0257693 ([(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate)

INCHI for HMDB0257693 ([(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate)

Structure for HMDB0257693 ([(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate)

3D Structure for HMDB0257693 ([(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra