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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-06-15 18:25:01 UTC
Update Date2021-09-14 15:48:15 UTC
HMDB IDHMDB0060638
Secondary Accession Numbers
  • HMDB60638
Metabolite Identification
Common NameGemcitabine triphosphate
DescriptionGemcitabine triphosphate, also known as 2,2-DF-CTP, belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. It is marketed as Gemzar by Eli Lilly and Company. Gemcitabine triphosphate is a metabolite of gemcitabine. Gemcitabine triphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). gemcitabine triphosphate can be biosynthesized from gemcitabine diphosphate through the action of the enzyme nucleoside diphosphate kinase a. Gemcitabine is a nucleoside analog used as chemotherapy. In humans, gemcitabine triphosphate is involved in gemcitabine metabolism pathway.
Structure
Data?1563866085
Synonyms
ValueSource
Gemcitabine triphosphoric acidGenerator
2'2'-Difluorodeoxycytidine 5'-triphosphateHMDB
2'2'-Difluorodeoxycytidine 5'-triphosphoric acidHMDB
2',2'-DIFLUORODEOXYCYTIDINE 5'-triphosphoric acidHMDB
2,2-DF-CTPHMDB
2',2'-Difluorodeoxycytidine 5'-triphosphateMeSH
Chemical FormulaC9H14F2N3O13P3
Average Molecular Weight503.1379
Monoisotopic Molecular Weight502.970753495
IUPAC Name({[({[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Name({[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)C1(F)F
InChI Identifier
InChI=1S/C9H14F2N3O13P3/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
InChI KeyYMOXEIOKAJSRQX-QPPQHZFASA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrimidines and pyrimidine derivatives
Direct ParentPyrimidones
Alternative Parents
Substituents
  • Aminopyrimidine
  • Pyrimidone
  • Monoalkyl phosphate
  • Hydropyrimidine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Imidolactam
  • Alkyl phosphate
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Fluorohydrin
  • Halohydrin
  • Secondary alcohol
  • Oxacycle
  • Azacycle
  • Alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organofluoride
  • Hydrocarbon derivative
  • Organohalogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Amine
  • Alkyl halide
  • Primary amine
  • Alkyl fluoride
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Process

Naturally occurring process

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 Solubility16.9 g/LALOGPS
logP0.33ALOGPS
logP-2.6ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)0.91ChemAxon
pKa (Strongest Basic)-0.69ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area247.97 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity85.87 m³·mol⁻¹ChemAxon
Polarizability35.27 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
DeepCCS[M+H]+178.94830932474
DeepCCS[M-H]-176.15130932474
DeepCCS[M-2H]-211.20430932474
DeepCCS[M+Na]+186.23930932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Gemcitabine triphosphateNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)C1(F)F4386.4Standard polar33892256
Gemcitabine triphosphateNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)C1(F)F2747.8Standard non polar33892256
Gemcitabine triphosphateNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)C1(F)F3908.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Gemcitabine triphosphate,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3575.8Semi standard non polar33892256
Gemcitabine triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O)O3580.3Semi standard non polar33892256
Gemcitabine triphosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O3596.3Semi standard non polar33892256
Gemcitabine triphosphate,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O3577.3Semi standard non polar33892256
Gemcitabine triphosphate,1TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13579.1Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3469.7Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3220.4Standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5448.7Standard polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3487.5Semi standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3333.4Standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O5375.5Standard polar33892256
Gemcitabine triphosphate,2TMS,isomer #11C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13512.2Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #11C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13393.4Standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #11C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C15354.7Standard polar33892256
Gemcitabine triphosphate,2TMS,isomer #12C[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C1)[Si](C)(C)C3530.3Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #12C[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C1)[Si](C)(C)C3434.0Standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #12C[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C1)[Si](C)(C)C5507.8Standard polar33892256
Gemcitabine triphosphate,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3471.0Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3224.2Standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5461.6Standard polar33892256
Gemcitabine triphosphate,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3457.5Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3211.0Standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5471.6Standard polar33892256
Gemcitabine triphosphate,2TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13491.1Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13268.0Standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C15510.3Standard polar33892256
Gemcitabine triphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3493.9Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3368.0Standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5326.9Standard polar33892256
Gemcitabine triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C3486.7Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C3347.4Standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C5344.4Standard polar33892256
Gemcitabine triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13523.6Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13403.1Standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C15315.5Standard polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3483.2Semi standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3361.2Standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O5355.4Standard polar33892256
Gemcitabine triphosphate,2TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13520.1Semi standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13415.7Standard non polar33892256
Gemcitabine triphosphate,2TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C15285.2Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3432.9Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3246.8Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5083.8Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #10C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13496.8Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #10C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13446.6Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #10C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C14847.1Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3448.9Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3344.0Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5040.5Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13509.7Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13420.3Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C14951.5Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O)O3482.6Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O)O3475.9Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O)O5022.3Standard polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3444.9Semi standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3351.7Standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O5027.0Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13500.5Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13437.1Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C14889.4Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #16C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3480.6Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #16C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3494.5Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #16C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O4945.1Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #17C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13510.4Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #17C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13407.2Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #17C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C14968.1Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3486.6Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3464.7Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O5059.5Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3425.7Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3228.6Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5129.4Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13471.5Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13313.4Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C15035.1Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3420.0Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3243.5Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5110.2Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13461.9Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13312.9Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C14969.9Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3426.6Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3216.2Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5156.0Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13467.4Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13298.9Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C15077.2Standard polar33892256
Gemcitabine triphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3440.1Semi standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3350.8Standard non polar33892256
Gemcitabine triphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F5154.4Standard polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C3439.4Semi standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C3369.8Standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C4996.3Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3396.9Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3223.5Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F4790.1Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3451.6Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3350.1Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F4781.0Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3417.6Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3319.2Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4694.7Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13499.7Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13419.7Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C14489.1Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3477.6Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3484.5Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4552.1Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #14C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13515.5Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #14C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13391.9Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #14C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C14567.1Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #15C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C3493.8Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #15C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C3455.0Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #15C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C4676.4Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #16C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13503.5Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #16C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C13399.4Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #16C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C2(F)F)C=C14509.8Standard polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3487.4Semi standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3478.5Standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O4587.9Standard polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3489.7Semi standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3437.4Standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O4691.9Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13468.0Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13323.3Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)C2(F)F)C=C14559.7Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3408.1Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3190.8Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F4848.7Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13481.1Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13301.3Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C14691.2Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3453.8Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3357.1Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F4745.0Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3401.2Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3201.4Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F4819.9Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13466.6Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13311.6Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C14596.9Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3443.7Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3366.2Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F4649.7Standard polar33892256
Gemcitabine triphosphate,4TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13477.3Semi standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13291.0Standard non polar33892256
Gemcitabine triphosphate,4TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C14713.9Standard polar33892256
Gemcitabine triphosphate,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3392.5Semi standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3167.9Standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F4515.1Standard polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C3499.6Semi standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C3435.0Standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C4238.3Standard polar33892256
Gemcitabine triphosphate,5TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3513.1Semi standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3399.8Standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4315.6Standard polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3496.5Semi standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3420.1Standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C(F)(F)[C@@H]1O4251.9Standard polar33892256
Gemcitabine triphosphate,5TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13464.6Semi standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13288.3Standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C14238.1Standard polar33892256
Gemcitabine triphosphate,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3462.0Semi standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3339.8Standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F4298.2Standard polar33892256
Gemcitabine triphosphate,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13471.5Semi standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13257.7Standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C14318.1Standard polar33892256
Gemcitabine triphosphate,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3482.8Semi standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3317.2Standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F4447.6Standard polar33892256
Gemcitabine triphosphate,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13462.0Semi standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C13267.1Standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2(F)F)C=C14256.7Standard polar33892256
Gemcitabine triphosphate,5TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3470.4Semi standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3337.7Standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F4336.3Standard polar33892256
Gemcitabine triphosphate,5TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3470.7Semi standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F3303.5Standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C1(F)F4468.0Standard polar33892256
Gemcitabine triphosphate,5TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C13486.7Semi standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C13361.6Standard non polar33892256
Gemcitabine triphosphate,5TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C14120.1Standard polar33892256
Gemcitabine triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3772.5Semi standard non polar33892256
Gemcitabine triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O)O3790.2Semi standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3795.8Semi standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3786.2Semi standard non polar33892256
Gemcitabine triphosphate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13831.2Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3884.8Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3559.7Standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5531.1Standard polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3893.7Semi standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3636.0Standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O5481.3Standard polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C2(F)F)C=C13994.3Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C2(F)F)C=C13742.2Standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C2(F)F)C=C15440.3Standard polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C1)[Si](C)(C)C(C)(C)C3919.7Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C1)[Si](C)(C)C(C)(C)C3757.4Standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C1)[Si](C)(C)C(C)(C)C5502.4Standard polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3884.1Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3567.3Standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5533.0Standard polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3881.9Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3558.6Standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5546.0Standard polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C13944.2Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C13630.9Standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C15520.5Standard polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3894.2Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3681.7Standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O5419.7Standard polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C(C)(C)C3895.6Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C(C)(C)C3666.3Standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C(C)(C)C5442.7Standard polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13986.7Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13738.8Standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C15411.4Standard polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3889.9Semi standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3680.0Standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O5440.0Standard polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13979.4Semi standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C13745.1Standard non polar33892256
Gemcitabine triphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)C2(F)F)C=C15364.7Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F4017.4Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3680.2Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5199.3Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C14111.9Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C13878.6Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C14984.2Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4041.6Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3726.8Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5178.0Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C14130.2Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C13865.1Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C15097.5Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O)O4063.7Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O)O3921.6Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C(F)(F)[C@@H]1O)OP(=O)(O)OP(=O)(O)O5127.5Standard polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O4023.8Semi standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O3740.2Standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O5139.9Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C14122.3Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C13883.8Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C15013.7Standard polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C(F)(F)[C@@H]1O4055.9Semi standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3936.5Standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C(F)(F)[C@@H]1O5046.2Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C14122.9Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C13833.4Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[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)[C@@H](O)C2(F)F)C=C15125.6Standard polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C(F)(F)[C@@H]1O4061.4Semi standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C(F)(F)[C@@H]1O3925.1Standard non polar33892256
Gemcitabine 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=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C(F)(F)[C@@H]1O5151.7Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F4029.0Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3669.5Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5264.9Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C14086.3Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C13777.8Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C15162.4Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F4017.0Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3686.6Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5218.8Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C14076.5Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C13781.4Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C15078.5Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F4027.2Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F3643.5Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[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)O[C@@H](N2C=CC(N)=NC2=O)C1(F)F5299.2Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C14094.0Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C13778.9Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C=C15191.3Standard polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C1(F)F4026.9Semi standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C1(F)F3826.4Standard non polar33892256
Gemcitabine triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C1(F)F5207.0Standard polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C(C)(C)C4024.6Semi standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C(C)(C)C3775.6Standard non polar33892256
Gemcitabine 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=CC(N)=NC2=O)C(F)(F)[C@@H]1O)O[Si](C)(C)C(C)(C)C5099.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Gemcitabine triphosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-9343200000-7b3d57bbbb4251d57fe22017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gemcitabine triphosphate GC-MS (1 TMS) - 70eV, Positivesplash10-000b-9632200000-45d13b60138a08b7abce2017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 10V, Positive-QTOFsplash10-03di-0900000000-41738e3baba1fc22f76a2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 20V, Positive-QTOFsplash10-03di-2900000000-c45e47aee60a478ca3662017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 40V, Positive-QTOFsplash10-03dj-9500000000-94508e784ffaea6f24702017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 10V, Negative-QTOFsplash10-08fr-1910420000-9e045b65f966c904f96d2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 20V, Negative-QTOFsplash10-03fr-9320000000-7f2708b0ad4b3a1728d52017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 40V, Negative-QTOFsplash10-056r-9310000000-5414877dcbeebc9dc89f2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 10V, Positive-QTOFsplash10-0w29-0600090000-6d492b08835e905c17992021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 20V, Positive-QTOFsplash10-03di-2900000000-fe3534a5b5b1e19b99af2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 40V, Positive-QTOFsplash10-01ot-9614000000-60375b9a96189f051bef2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 10V, Negative-QTOFsplash10-0w30-0900780000-d8dec85f78a81eb977a62021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 20V, Negative-QTOFsplash10-0a6r-2101900000-4f7d3d43e5d35c71c3032021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gemcitabine triphosphate 40V, Negative-QTOFsplash10-004i-9200200000-97f85eab49049dff32842021-10-12Wishart 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 IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound130659
PDB IDGTF
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