Chem
J-GLOBAL ID：200907014783538319   Nikkaji number：J448.965I

dFdCTP

dFdCTP
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： C9H14F2N3O13P3
Molecular formula furigana： C9-H14-F2-N3-O13-P3
Molecular weight： 503.137
InChI： 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 key： YMOXEIOKAJSRQX-QPPQHZFASA-N
SMILES： Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)c(=O)n1
Systematic name  (4)：
  • 2′,2′-ジフルオロ-2′-デオキシシチジン5′-三りん酸
  • 2′,2′-ジフルオロ-2′-デオキシシチジン-5′-三りん酸
  • ({[({[(2R,3R,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-4,4-ジフルオロ-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)オキシ](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(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
Other name (6)：
  • dFdCTP
  • 2′,2′-Difluoro-2′-deoxycytidine-5′-triphosphoric acid
  • dFdC三りん酸
  • dFdC triphosphate
  • ゲムシタビン三りん酸
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