Chem
J-GLOBAL ID：200907098034685983   Nikkaji number：J2.724.482C

2′-Deoxycytidine 5′-[[hydroxy(phosphonooxy)phosphinyl]difluoromethyl]phosphonic acid

2′-デオキシシチジン5′-[[ヒドロキシ(ホスホノオキシ)ホスフィニル]ジフルオロメチル]ホスホン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C10H16F2N3O12P3
Molecular formula furigana： C10-H16-F2-N3-O12-P3
Molecular weight： 501.165
InChI： InChI=1S/C10H16F2N3O12P3/c11-10(12,29(20,21)27-30(22,23)24)28(18,19)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,18,19)(H,20,21)(H2,13,14,17)(H2,22,23,24)/t5-,6+,8+/m0/s1
InChI key： NCCTXZHZERSHKT-SHYZEUOFSA-N
SMILES： Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)C(F)(F)P(=O)(O)OP(=O)(O)O)O2)c(=O)n1
Systematic name  (3)：
  • 2′-デオキシシチジン5′-[[ヒドロキシ(ホスホノオキシ)ホスフィニル]ジフルオロメチル]ホスホン酸
  • ({[({[(2R,3S,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-3-ヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)ジフルオロメチル](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)difluoromethyl](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1)：
  • 2′-Deoxycytidine 5′-[[hydroxy(phosphonooxy)phosphinyl]difluoromethyl]phosphonic acid
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