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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-06-15 18:25:10 UTC
Update Date2021-09-14 15:48:16 UTC
HMDB IDHMDB0060640
Secondary Accession Numbers
  • HMDB60640
Metabolite Identification
Common NameLamivudine-triphosphate
DescriptionLamivudine-triphosphate is a metabolite of lamivudine. Lamivudine (2',3'-dideoxy-3'-thiacytidine, commonly called 3TC) is a potent nucleoside analog reverse transcriptase inhibitor (nRTI). It is marketed by GlaxoSmithKline with the brand names Zeffix, Heptovir, Epivir, and Epivir-HBV. Lamivudine has been used for treatment of chronic hepatitis B at a lower dose than for treatment of HIV. It improves the seroconversion of e-antigen positive hepatitis B and also improves histology staging of the liver. (Wikipedia)
Structure
Data?1563866086
Synonyms
ValueSource
Lamivudine-triphosphoric acidGenerator
Chemical FormulaC8H14N3O12P3S
Average Molecular Weight469.196
Monoisotopic Molecular Weight468.951103153
IUPAC Name({[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Name({[5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
NC1=NC(=O)N(C=C1)C1CSC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
InChI Identifier
InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)
InChI KeyYLEQMGZZMCJKCN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassNucleoside and nucleotide analogues
Sub ClassNot Available
Direct ParentNucleoside and nucleotide analogues
Alternative Parents
Substituents
  • Hydroxypyrimidine
  • Monoalkyl phosphate
  • Hydropyrimidine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Pyrimidine
  • Monothioacetal
  • Oxathiolane
  • Heteroaromatic compound
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
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 Solubility12.6 g/LALOGPS
logP-0.16ALOGPS
logP-2.5ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)0.98ChemAxon
pKa (Strongest Basic)0.15ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area227.74 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity87.78 m³·mol⁻¹ChemAxon
Polarizability35.08 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+201.00531661259
DarkChem[M-H]-192.47231661259
DeepCCS[M+H]+164.12130932474
DeepCCS[M-H]-160.34230932474
DeepCCS[M-2H]-196.6430932474
DeepCCS[M+Na]+172.93230932474
AllCCS[M+H]+189.232859911
AllCCS[M+H-H2O]+187.232859911
AllCCS[M+NH4]+191.032859911
AllCCS[M+Na]+191.532859911
AllCCS[M-H]-178.732859911
AllCCS[M+Na-2H]-179.032859911
AllCCS[M+HCOO]-179.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Lamivudine-triphosphateNC1=NC(=O)N(C=C1)C1CSC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O14828.7Standard polar33892256
Lamivudine-triphosphateNC1=NC(=O)N(C=C1)C1CSC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O12986.9Standard non polar33892256
Lamivudine-triphosphateNC1=NC(=O)N(C=C1)C1CSC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O14118.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Lamivudine-triphosphate,1TMS,isomer #1C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O3893.8Semi standard non polar33892256
Lamivudine-triphosphate,1TMS,isomer #1C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O3588.0Standard non polar33892256
Lamivudine-triphosphate,1TMS,isomer #1C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O6302.5Standard polar33892256
Lamivudine-triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13901.2Semi standard non polar33892256
Lamivudine-triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13610.3Standard non polar33892256
Lamivudine-triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS16394.0Standard polar33892256
Lamivudine-triphosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13892.1Semi standard non polar33892256
Lamivudine-triphosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13586.2Standard non polar33892256
Lamivudine-triphosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS16324.4Standard polar33892256
Lamivudine-triphosphate,1TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C13896.8Semi standard non polar33892256
Lamivudine-triphosphate,1TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C13602.8Standard non polar33892256
Lamivudine-triphosphate,1TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C16486.2Standard polar33892256
Lamivudine-triphosphate,2TMS,isomer #1C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3876.8Semi standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #1C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3644.1Standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #1C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5770.8Standard polar33892256
Lamivudine-triphosphate,2TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C3858.7Semi standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C3630.3Standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C5762.5Standard polar33892256
Lamivudine-triphosphate,2TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C=C13926.0Semi standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C=C13675.8Standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C=C15757.0Standard polar33892256
Lamivudine-triphosphate,2TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13861.2Semi standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13644.4Standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS15803.0Standard polar33892256
Lamivudine-triphosphate,2TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C=C13923.4Semi standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C=C13692.1Standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C=C15766.6Standard polar33892256
Lamivudine-triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13857.6Semi standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13615.7Standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS15799.1Standard polar33892256
Lamivudine-triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C=C13913.5Semi standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C=C13670.7Standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C=C15800.8Standard polar33892256
Lamivudine-triphosphate,2TMS,isomer #8C[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C3918.3Semi standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #8C[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C3698.6Standard non polar33892256
Lamivudine-triphosphate,2TMS,isomer #8C[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C6028.6Standard polar33892256
Lamivudine-triphosphate,3TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C3791.9Semi standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C3675.5Standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C5392.2Standard polar33892256
Lamivudine-triphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS13883.8Semi standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS13748.1Standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS15474.6Standard polar33892256
Lamivudine-triphosphate,3TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C=C13881.1Semi standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C=C13747.3Standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C=C15238.5Standard polar33892256
Lamivudine-triphosphate,3TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3803.0Semi standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3657.8Standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5417.9Standard polar33892256
Lamivudine-triphosphate,3TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C=C13868.3Semi standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C=C13730.0Standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C=C15315.3Standard polar33892256
Lamivudine-triphosphate,3TMS,isomer #5C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O3897.2Semi standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #5C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O3755.7Standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #5C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O5422.9Standard polar33892256
Lamivudine-triphosphate,3TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13799.8Semi standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13661.5Standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS15431.7Standard polar33892256
Lamivudine-triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C=C13869.0Semi standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C=C13744.3Standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C=C15288.8Standard polar33892256
Lamivudine-triphosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS13890.6Semi standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS13775.3Standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS15379.9Standard polar33892256
Lamivudine-triphosphate,3TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C13869.6Semi standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C13715.3Standard non polar33892256
Lamivudine-triphosphate,3TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C15332.9Standard polar33892256
Lamivudine-triphosphate,4TMS,isomer #1C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3751.4Semi standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #1C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3672.3Standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #1C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5062.4Standard polar33892256
Lamivudine-triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C=C13838.5Semi standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C=C13759.4Standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C=C14858.0Standard polar33892256
Lamivudine-triphosphate,4TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3853.7Semi standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3803.4Standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4902.0Standard polar33892256
Lamivudine-triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C13844.4Semi standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C13734.8Standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C14909.3Standard polar33892256
Lamivudine-triphosphate,4TMS,isomer #5C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)O[Si](C)(C)C3841.4Semi standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #5C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)O[Si](C)(C)C3780.3Standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #5C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)O[Si](C)(C)C5015.9Standard polar33892256
Lamivudine-triphosphate,4TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C13840.4Semi standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C13741.7Standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C14877.3Standard polar33892256
Lamivudine-triphosphate,4TMS,isomer #7C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS13841.7Semi standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #7C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS13799.2Standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #7C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS14945.6Standard polar33892256
Lamivudine-triphosphate,4TMS,isomer #8C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS13841.1Semi standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #8C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS13762.4Standard non polar33892256
Lamivudine-triphosphate,4TMS,isomer #8C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS15028.0Standard polar33892256
Lamivudine-triphosphate,5TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N(C2CSC(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)O2)C=C13820.5Semi standard non polar33892256
Lamivudine-triphosphate,5TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N(C2CSC(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)O2)C=C13740.5Standard non polar33892256
Lamivudine-triphosphate,5TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N(C2CSC(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)O2)C=C14435.3Standard polar33892256
Lamivudine-triphosphate,5TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)O[Si](C)(C)C3819.5Semi standard non polar33892256
Lamivudine-triphosphate,5TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)O[Si](C)(C)C3794.7Standard non polar33892256
Lamivudine-triphosphate,5TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)O[Si](C)(C)C4538.6Standard polar33892256
Lamivudine-triphosphate,5TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3836.4Semi standard non polar33892256
Lamivudine-triphosphate,5TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3762.5Standard non polar33892256
Lamivudine-triphosphate,5TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4607.7Standard polar33892256
Lamivudine-triphosphate,5TMS,isomer #4C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS13824.5Semi standard non polar33892256
Lamivudine-triphosphate,5TMS,isomer #4C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS13774.7Standard non polar33892256
Lamivudine-triphosphate,5TMS,isomer #4C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS14550.7Standard polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O4133.5Semi standard non polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O3758.7Standard non polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O6360.5Standard polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS14141.0Semi standard non polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13772.3Standard non polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS16441.7Standard polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS14126.8Semi standard non polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS13754.2Standard non polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS16378.1Standard polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C14154.7Semi standard non polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C13781.5Standard non polar33892256
Lamivudine-triphosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C16358.3Standard polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4307.0Semi standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3961.7Standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O5863.5Standard polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C4299.4Semi standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C3953.4Standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C5864.9Standard polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C=C14369.2Semi standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C=C14007.3Standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C=C15818.5Standard polar33892256
Lamivudine-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)OCC1OC(N2C=CC(N)=NC2=O)CS14300.0Semi standard non polar33892256
Lamivudine-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)OCC1OC(N2C=CC(N)=NC2=O)CS13964.8Standard non polar33892256
Lamivudine-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)OCC1OC(N2C=CC(N)=NC2=O)CS15881.1Standard polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C=C14364.4Semi standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C=C14017.5Standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C=C15807.2Standard polar33892256
Lamivudine-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)OCC1OC(N2C=CC(N)=NC2=O)CS14299.4Semi standard non polar33892256
Lamivudine-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)OCC1OC(N2C=CC(N)=NC2=O)CS13922.5Standard non polar33892256
Lamivudine-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)OCC1OC(N2C=CC(N)=NC2=O)CS15910.2Standard polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C14368.8Semi standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C14011.8Standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C15854.8Standard polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C4335.8Semi standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C4023.9Standard non polar33892256
Lamivudine-triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C5940.7Standard polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C4407.3Semi standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C4101.7Standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C5492.9Standard polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS14441.6Semi standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS14217.5Standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS15541.9Standard polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C=C14488.7Semi standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C=C14187.4Standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C=C15373.7Standard polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4427.2Semi standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4062.9Standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5558.0Standard polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C14494.6Semi standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C14185.3Standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C15465.0Standard polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O4454.4Semi standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O4209.8Standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS1)OP(=O)(O)OP(=O)(O)O5509.9Standard polar33892256
Lamivudine-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)OCC1OC(N2C=CC(N)=NC2=O)CS14408.3Semi standard non polar33892256
Lamivudine-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)OCC1OC(N2C=CC(N)=NC2=O)CS14068.5Standard non polar33892256
Lamivudine-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)OCC1OC(N2C=CC(N)=NC2=O)CS15542.7Standard polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C14490.2Semi standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C14194.6Standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C15407.5Standard polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS14452.5Semi standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS14220.3Standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS15446.0Standard polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C14495.0Semi standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C14143.1Standard non polar33892256
Lamivudine-triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C15496.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Lamivudine-triphosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-054k-8975000000-d631485270dedaaf84652017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lamivudine-triphosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lamivudine-triphosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lamivudine-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 - Lamivudine-triphosphate 10V, Positive-QTOFsplash10-03di-0910100000-39fa84afb8179e730bca2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 20V, Positive-QTOFsplash10-03di-2910000000-381ebae2b8da9ab24ad42017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 40V, Positive-QTOFsplash10-03di-5900000000-c8ac46b8e95c1822a2582017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 10V, Negative-QTOFsplash10-00xr-0222900000-958544a4b4513a846f132017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 20V, Negative-QTOFsplash10-01t9-9830000000-891a39bc53d4f9256ccb2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 40V, Negative-QTOFsplash10-056r-9310000000-acc54b94dade6dacaf0e2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 10V, Positive-QTOFsplash10-03di-0900100000-6f6dbe1160a932b061ba2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 20V, Positive-QTOFsplash10-03di-0907700000-cd65b21d70b36e4c0ca82021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 40V, Positive-QTOFsplash10-03di-0943000000-b74c69289b7d053c867d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 10V, Negative-QTOFsplash10-014i-0000900000-e1d422beadd61b2a27222021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 20V, Negative-QTOFsplash10-05p9-1981400000-d05cf197dc90c84d26992021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lamivudine-triphosphate 40V, Negative-QTOFsplash10-004i-9100000000-ed3651ac262648520d322021-10-12Wishart 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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID35031764
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound75607486
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