Chem
J-GLOBAL ID：200907005938669386   Nikkaji number：J2.724.484J

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

チミジン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： C11H17F2N2O13P3
Molecular formula furigana： C11-H17-F2-N2-O13-P3
Molecular weight： 516.176
InChI： InChI=1S/C11H17F2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-29(19,20)11(12,13)30(21,22)28-31(23,24)25/h3,6-8,16H,2,4H2,1H3,(H,19,20)(H,21,22)(H,14,17,18)(H2,23,24,25)/t6-,7+,8+/m0/s1
InChI key： WQZXQECPJNOPSV-XLPZGREQSA-N
SMILES： Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)C(F)(F)P(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • チミジン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
  • [({ジフルオロ[ヒドロキシ({[(2R,3S,5R)-3-ヒドロキシ-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-2-イル]メトキシ})ホスホリル]メチル}(ヒドロキシ)ホスホリル)オキシ]ホスホン酸
  • [({difluoro[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]methyl}(hydroxy)phosphoryl)oxy]phosphonic acid
Other name (1)：
  • Thymidine 5′-[[hydroxy(phosphonooxy)phosphinyl]difluoromethyl]phosphonic acid
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