[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a936ad7ece76492bab4110c56dd337ef.png "[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
110988-86-8
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Formula:
C9H14F2N3O13P3
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Chemical Name:
[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
Gemcitabine triphosphate;110988-86-8;2',2'-Difluorodeoxycytidine 5'-triphosphate;UNII-A0Q7SO4OZE;A0Q7SO4OZE;dFdCTP;[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate);Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2',2'-difluoro-;2,2-DF-Ctp;Gemzar Triphosphate;GTF;Gem TP;Gemcitabine-TRIPHOSPHATE;gemcitabine-5'-triphosphate;SCHEMBL3468704;CHEMBL1201383;DTXSID80911928;ZINC13546270;2'-Deoxy-2',2'-difluorocytidine 5'-triphosphate;W-200827;Q27273475;2'-Deoxy-2',2'-difluorocytidine 5'-triphosphate lithium salt;2'-Deoxy-2',2'-difluorocytidine 5'-triphosphate sodium salt;[[(2R,3R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4,4-difluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate;1-[2-Deoxy-2,2-difluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4-imino-1,4-dihydropyrimidin-2-ol;Phosphoric acid tri-[(2R,3R,5R)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-4,4-difluoro-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
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CAS No:
[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
503.14 g/mol
502.97075483 g/mol
A0Q7SO4OZE
Computed Properties
Molecular Weight:503.14
XLogP3:-5.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:8
Exact Mass:502.97075483
Monoisotopic Mass:502.97075483
Topological Polar Surface Area:248
Heavy Atom Count:30
Complexity:906
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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