Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-07-04 18:55:29 UTC
Update Date2021-09-14 14:57:50 UTC
HMDB IDHMDB0060728
Secondary Accession Numbers
  • HMDB0061724
  • HMDB60728
  • HMDB61724
Metabolite Identification
Common Name2',3'-Dideoxyadenosine-5-triphosphate
Description2',3'-Dideoxyadenosine-5-triphosphate, also known as DDATP or 2',3'-dideoxy-ATP, belongs to the class of organic compounds known as purine 2',3'-dideoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3. 2',3'-Dideoxyadenosine-5-triphosphate is a strong basic compound (based on its pKa). 2',3'-Dideoxyadenosine-5-triphosphate is a metabolite of didanosine. Didanosine (2',3'-dideoxyinosine, ddI, DDI) is sold under the trade names Videx and Videx EC. It is a reverse transcriptase inhibitor, effective against HIV and used in combination with other antiretroviral drug therapy as part of highly active antiretroviral therapy (HAART) (Wikipedia).
Structure
Data?1563866097
Synonyms
ValueSource
2',3'-Dideoxyadenosine-5-triphosphoric acidGenerator
DDATPHMDB
2',3'-Dideoxy-ATPHMDB
2',3'-Dideoxyadenosine triphosphateHMDB
Dideoxyadenosine triphosphoric acidHMDB
2',3'-Dideoxyadenosine 5'-(tetrahydrogen triphosphate)HMDB
2',3'-Dideoxyadenosine 5'-triphosphateHMDB
2',3'-DdATPHMDB
2’,3’-dideoxy-ATPHMDB
2’,3’-dideoxyadenosine 5’-(tetrahydrogen triphosphate)HMDB
2’,3’-dideoxyadenosine 5’-triphosphateHMDB
2’,3’-dideoxyadenosine triphosphateHMDB
2’,3’-ddatpHMDB
Dideoxyadenosine triphosphateHMDB
Chemical FormulaC10H16N5O11P3
Average Molecular Weight475.1822
Monoisotopic Molecular Weight475.005915915
IUPAC Name({[({[(2S,5R)-5-(6-amino-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Name({[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
CAS Registry Number24027-80-3
SMILES
NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
InChI Identifier
InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
InChI KeyOAKPWEUQDVLTCN-NKWVEPMBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine 2',3'-dideoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine deoxyribonucleotides
Direct ParentPurine 2',3'-dideoxyribonucleoside triphosphates
Alternative Parents
Substituents
  • Purine 2',3'-dideoxyribonucleoside triphosphate
  • Purine 2',3'-dideoxyribonucleoside
  • Purine nucleoside
  • 6-aminopurine
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Monoalkyl phosphate
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Imidolactam
  • Heteroaromatic compound
  • Imidazole
  • Azole
  • Tetrahydrofuran
  • Oxacycle
  • Organoheterocyclic compound
  • Azacycle
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Primary amine
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot 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 Solubility3.05 g/LALOGPS
logP-0.44ALOGPS
logP-4.2ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)0.9ChemAxon
pKa (Strongest Basic)4.03ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area238.67 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity93.51 m³·mol⁻¹ChemAxon
Polarizability36.29 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]+172.33830932474
DeepCCS[M-H]-168.91730932474
DeepCCS[M-2H]-204.73930932474
DeepCCS[M+Na]+180.90330932474
AllCCS[M+H]+194.632859911
AllCCS[M+H-H2O]+192.532859911
AllCCS[M+NH4]+196.432859911
AllCCS[M+Na]+197.032859911
AllCCS[M-H]-186.132859911
AllCCS[M+Na-2H]-186.232859911
AllCCS[M+HCOO]-186.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2',3'-Dideoxyadenosine-5-triphosphateNC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O14668.1Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphateNC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O12952.3Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphateNC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O14027.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #1C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O3820.7Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #1C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O3613.4Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #1C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O6664.3Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13825.9Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13638.4Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O16770.1Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13808.0Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13622.1Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O16684.4Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O13837.3Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O13619.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O16895.6Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #1C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3750.7Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #1C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3673.0Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #1C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O6134.9Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C3732.3Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C3658.4Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C6120.2Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13793.1Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13694.5Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O16147.6Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13726.7Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13676.6Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O16169.9Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13788.8Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13714.4Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O16179.6Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13735.8Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13645.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O16160.5Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13762.2Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13698.9Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O16190.6Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #8C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C3786.4Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #8C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C3745.6Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TMS,isomer #8C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C6343.1Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C3696.2Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C3672.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C5760.6Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O13737.6Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O13774.9Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O15780.1Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13756.5Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13746.3Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O15626.2Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3701.9Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3647.3Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5781.0Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13745.1Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13730.1Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O15693.9Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O3749.1Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O3782.0Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O5729.0Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13697.4Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13653.7Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O15804.3Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13739.5Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13747.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O15681.0Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O13735.6Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O13802.7Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O15704.5Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13743.9Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13711.1Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O15721.3Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #1C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3714.7Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #1C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3606.2Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #1C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5453.8Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13765.8Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13741.7Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O15248.7Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3723.5Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3796.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5193.6Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13768.3Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13706.7Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O15301.3Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #5C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)O[Si](C)(C)C3732.4Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #5C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)O[Si](C)(C)C3774.6Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #5C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)O[Si](C)(C)C5305.2Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13761.8Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13720.7Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O15277.3Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #7C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O13723.6Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #7C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O13789.4Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #7C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O15249.1Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #8C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O13724.7Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #8C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O13754.1Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,4TMS,isomer #8C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O15328.0Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O13797.5Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O13685.6Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O14835.1Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)O[Si](C)(C)C3761.3Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)O[Si](C)(C)C3746.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)O[Si](C)(C)C4817.0Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3764.2Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3716.6Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4893.2Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #4C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O13756.1Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #4C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O13728.5Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,5TMS,isomer #4C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O14838.1Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O4047.6Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O3782.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O6720.4Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O14051.1Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13798.5Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O16817.8Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O14037.9Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13790.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O16736.8Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14043.0Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O13803.7Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O16754.2Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4177.4Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3958.9Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O6244.0Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C(C)(C)C4162.1Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C(C)(C)C3951.9Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C(C)(C)C6228.8Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14172.7Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14019.0Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O16197.5Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O14163.7Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13963.1Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O16266.5Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14177.0Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14032.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O16205.1Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O14166.6Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O13922.3Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O16278.1Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14150.8Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14032.1Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O16234.9Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C(C)(C)C4182.0Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C(C)(C)C4082.7Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C(C)(C)C6234.1Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C(C)(C)C4259.1Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C(C)(C)C4040.5Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)O[Si](C)(C)C(C)(C)C5877.4Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O14266.6Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O14227.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O15840.3Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O14303.0Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O14173.6Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O15765.9Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4268.8Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4002.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5942.6Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O14293.0Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O14170.1Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O15845.8Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O4280.3Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O4221.8Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O1)OP(=O)(O)OP(=O)(O)O5801.4Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #6CC(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]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O14258.5Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #6CC(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]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O14009.5Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #6CC(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]1CC[C@H](N2C=NC3=C(N)N=CN=C32)O15933.8Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O14291.9Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O14183.7Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O15806.3Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O14283.8Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O14237.1Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O15751.5Standard polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O14293.8Semi standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O14135.7Standard non polar33892256
2',3'-Dideoxyadenosine-5-triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1CC[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)O15885.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2',3'-Dideoxyadenosine-5-triphosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-054k-9575100000-42be4427da05e26483ed2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2',3'-Dideoxyadenosine-5-triphosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2',3'-Dideoxyadenosine-5-triphosphate 10V, Positive-QTOFsplash10-000i-0911100000-d76b4a94b9c69db119ff2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2',3'-Dideoxyadenosine-5-triphosphate 20V, Positive-QTOFsplash10-000i-0900000000-e2799f4a40f49f84b4232017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2',3'-Dideoxyadenosine-5-triphosphate 40V, Positive-QTOFsplash10-000i-1900000000-9a5ab86eeb22480831fb2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2',3'-Dideoxyadenosine-5-triphosphate 10V, Negative-QTOFsplash10-00di-0120900000-18b657b7a04d8a549b322017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2',3'-Dideoxyadenosine-5-triphosphate 20V, Negative-QTOFsplash10-0569-9880100000-a205f6cf9355582bfe472017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2',3'-Dideoxyadenosine-5-triphosphate 40V, Negative-QTOFsplash10-004i-9200000000-bfa06fc50b2d3a56d9342017-07-26Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C 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 IDDB02189
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 Compound65304
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