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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-07-04 18:54:25 UTC
Update Date2021-09-14 15:47:21 UTC
HMDB IDHMDB0060713
Secondary Accession Numbers
  • HMDB60713
Metabolite Identification
Common Name2-Chloro-2'-deoxyadenosine-5'-triphosphate
Description2-Chloro-2'-deoxyadenosine-5'-triphosphate is a metabolite of cladribine. Cladribine (trade names Litak and Movectro) is a drug used to treat hairy cell leukemia (HCL, leukemic reticuloendotheliosis) and multiple sclerosis. Its chemical name is 2-chlorodeoxyadenosine (2CDA). As a purine analog, it is a synthetic anti-cancer agent that also suppresses the immune system. Chemically, it mimics the nucleoside adenosine and thus inhibits the enzyme adenosine deaminase, which interferes with the cell's ability to process DNA. (Wikipedia)
Structure
Data?1563866095
Synonyms
ValueSource
2-Chloro-2'-deoxyadenosine-5'-triphosphoric acidGenerator
2-Chloro-2'-deoxyadenosine triphosphateHMDB
2-Chloro-dATPHMDB
Chemical FormulaC10H15ClN5O12P3
Average Molecular Weight525.627
Monoisotopic Molecular Weight524.961858212
IUPAC Name({[({[(2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Name({[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N1
InChI Identifier
InChI=1S/C10H15ClN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6+/m0/s1
InChI KeyPZCJNHCKXRBBNN-KVQBGUIXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine deoxyribonucleotides
Direct ParentPurine 2'-deoxyribonucleoside triphosphates
Alternative Parents
Substituents
  • Purine 2'-deoxyribonucleoside triphosphate
  • 6-aminopurine
  • Purine
  • Imidazopyrimidine
  • Aminopyrimidine
  • 2-halopyrimidine
  • Monoalkyl phosphate
  • Halopyrimidine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • N-substituted imidazole
  • Aryl chloride
  • Aryl halide
  • Imidolactam
  • Alkyl phosphate
  • Pyrimidine
  • Azole
  • Tetrahydrofuran
  • Heteroaromatic compound
  • Imidazole
  • Secondary alcohol
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Organohalogen compound
  • Primary amine
  • Amine
  • Alcohol
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organochloride
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.46 g/LALOGPS
logP-0.01ALOGPS
logP-1.8ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)1.14ChemAxon
pKa (Strongest Basic)0.54ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area258.9 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity99.8 m³·mol⁻¹ChemAxon
Polarizability40.02 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+173.930932474
DeepCCS[M-H]-170.80130932474
DeepCCS[M-2H]-205.40530932474
DeepCCS[M+Na]+181.21630932474
AllCCS[M+H]+200.032859911
AllCCS[M+H-H2O]+198.332859911
AllCCS[M+NH4]+201.532859911
AllCCS[M+Na]+202.032859911
AllCCS[M-H]-191.732859911
AllCCS[M+Na-2H]-192.132859911
AllCCS[M+HCOO]-192.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-Chloro-2'-deoxyadenosine-5'-triphosphateNC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N15104.6Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphateNC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N12975.3Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphateNC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N14433.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4028.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4070.1Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O4080.2Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O4058.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TMS,isomer #5C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14049.1Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3946.7Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3694.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O6774.8Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O3959.2Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O3765.3Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O6560.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #11C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13966.9Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #11C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13818.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #11C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O16518.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #12C[Si](C)(C)N(C1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C3988.5Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #12C[Si](C)(C)N(C1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C3855.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #12C[Si](C)(C)N(C1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C6718.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3942.7Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3700.3Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O6841.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3924.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3691.7Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C6798.2Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #4C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O13945.2Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #4C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O13740.6Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #4C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O16820.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3976.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3785.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O6530.1Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C3958.9Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C3776.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C6516.1Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13995.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13822.3Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O16477.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O3952.9Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O3783.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O6564.6Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #9C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13991.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #9C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13826.9Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #9C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O16489.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3882.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3678.6Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O6337.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #10C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13940.1Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #10C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13833.1Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #10C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O15897.6Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3894.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3728.6Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C6142.1Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #12C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13919.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #12C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13819.7Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #12C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O15977.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O3915.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O3866.8Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O6069.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O3890.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O3732.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O6161.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13914.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13824.4Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O15949.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #16C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O3904.1Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #16C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O3869.6Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #16C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O6025.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #17C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13922.8Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #17C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13804.9Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #17C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O16002.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O3903.1Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O3863.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O6113.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3870.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3664.8Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C6339.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #3C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13910.2Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #3C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13756.9Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #3C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O16202.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3867.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3674.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C6365.8Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #5C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13898.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #5C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13764.4Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #5C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O16180.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3869.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3657.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C6369.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13881.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13751.4Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O16246.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O3885.1Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O3800.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O6356.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #9C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C3883.1Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #9C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C3744.3Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #9C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C6119.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3840.9Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3617.8Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C5978.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #10C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3849.9Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #10C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3795.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #10C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C5847.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3857.8Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3679.9Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5778.6Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #12C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13907.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #12C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13809.6Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #12C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O15494.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3885.8Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3862.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5512.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #14C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13917.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #14C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13787.9Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #14C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O15553.6Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #15C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C3892.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #15C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C3849.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #15C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C5624.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #16C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13911.1Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #16C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13790.4Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #16C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O15521.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #17C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O3879.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #17C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O3858.7Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #17C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O5560.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #18C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O3895.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #18C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O3835.9Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #18C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O5642.6Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13888.5Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13753.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O15669.8Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3846.1Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3595.4Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C6024.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13877.7Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13737.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O15771.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3860.7Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3797.8Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O5801.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3845.7Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3603.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C6012.6Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #7C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13870.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #7C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13743.6Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #7C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O15720.2Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3851.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3806.8Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5737.5Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #9C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13876.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #9C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13729.3Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #9C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O15796.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3843.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3550.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5649.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C3884.8Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C3825.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C5122.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3899.9Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3800.4Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5207.5Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #12C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O3889.5Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #12C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O3809.8Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #12C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O5141.8Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #2C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13888.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #2C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13705.6Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #2C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O15270.2Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3861.5Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3773.4Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5270.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #4C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13885.8Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #4C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13685.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #4C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O15353.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3858.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3760.9Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C5404.5Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #6C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13889.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #6C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13691.4Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #6C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O15297.1Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3856.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3772.4Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C5316.8Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3857.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3751.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5430.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #9C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13923.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #9C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13748.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #9C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O15056.8Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4231.9Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4290.2Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O4295.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O4280.8Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14278.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O4340.9Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O4039.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O6778.2Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O4367.8Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O4047.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O6638.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14363.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14152.6Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O16516.1Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C(C)(C)C4324.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C(C)(C)C4181.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C(C)(C)C6563.1Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4341.2Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4043.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O6829.5Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4322.5Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4036.9Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C6795.1Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14312.9Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14121.8Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O16686.2Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4382.2Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4065.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O6603.8Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4368.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4058.1Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C6592.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14378.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14149.2Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O16482.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O4364.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O4062.3Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O6627.1Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14380.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14153.8Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O16468.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4410.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4096.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O6389.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14453.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14252.4Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O16001.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4438.7Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4098.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C6259.8Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14440.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14246.3Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O16090.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4392.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4298.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O6111.1Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O4428.5Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O4103.0Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O6247.6Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14442.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14255.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O16039.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)C[C@@H]1O4391.5Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)C[C@@H]1O4306.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)C[C@@H]1O6048.7Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O14441.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O14231.6Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O16125.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)C[C@@H]1O4379.4Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)C[C@@H]1O4303.9Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)C[C@@H]1O6140.5Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4414.2Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4090.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C6415.9Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14406.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14223.8Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O16246.1Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4409.1Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4098.7Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C6409.0Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14408.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14235.7Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O16203.4Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4417.6Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4081.1Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C6457.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14392.8Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14228.1Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O16280.3Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4357.3Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4274.5Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O6292.2Standard polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4420.0Semi standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4117.3Standard non polar33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C6197.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0005-9472010000-d477db52510f6c3f395f2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate GC-MS (1 TMS) - 70eV, Positivesplash10-006y-9028010000-38472ab83edf09f30f2b2017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 10V, Positive-QTOFsplash10-00di-0900010000-cc140ff4508a315556af2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 20V, Positive-QTOFsplash10-00di-0900000000-bfdbe07040ff3a8de9a12017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 40V, Positive-QTOFsplash10-00di-0900000000-9fdae7d050263490a6d42017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 10V, Negative-QTOFsplash10-03k9-0220970000-492ff8baf6ccddfc3a242017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 20V, Negative-QTOFsplash10-0400-9720000000-ef473abb8ee6d11c47af2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 40V, Negative-QTOFsplash10-056r-9500000000-93b2efb043e05fbe0bad2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 10V, Positive-QTOFsplash10-00di-0900030000-2d2bfdc9383ed10b439e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 20V, Positive-QTOFsplash10-00di-0911000000-220901d7d9397063a0322021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 40V, Positive-QTOFsplash10-00di-0942000000-585539bd659382ac5c602021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 10V, Negative-QTOFsplash10-00di-0000090000-6a2762685612408f377e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 20V, Negative-QTOFsplash10-05di-8800490000-0068fb982815992f29d82021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 40V, Negative-QTOFsplash10-004i-9400100000-c42e8868b887260418bf2021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound452857
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available