Chem
J-GLOBAL ID:200907007732671492
Nikkaji number:J2.591.513E
5′-O-[[(Phosphonodifluoromethyl)phosphonyloxy]phosphonyl]thymidine
5′-O-[[(ホスホノジフルオロメチル)ホスホニルオキシ]ホスホニル]チミジン
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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:
C11 H17 F2 N2 O13 P3
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)4-26-31(24,25)28-30(22,23)11(12,13)29(19,20)21/h3,6-8,16H,2,4H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,7+,8+/m0/s1
InChI key:
PZJVGXNXDJKXPK-XLPZGREQSA-N
SMILES:
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)C(F)(F)P(=O)(O)O)O2)c(=O)[nH]c1=O
Systematic name (3):
5′-O-[[(ホスホノジフルオロメチル)ホスホニルオキシ]ホスホニル]チミジン
{ジフルオロ[ヒドロキシ({[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]オキシ})ホスホリル]メチル}ホスホン酸
{difluoro[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]methyl}phosphonic acid
Other name (1):
5′-O-[[(Phosphonodifluoromethyl)phosphonyloxy]phosphonyl]thymidine
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