Chem
J-GLOBAL ID：200907099041498354   Nikkaji number：J2.642.267A

5-(4-Chlorophenyl)uridine 5′-[diphosphoric acid P2-(α-D-glucopyranosyl)] ester

5-(4-クロロフェニル)ウリジン5′-[二りん酸P2-(α-D-グルコピラノシル)]
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： C21H27ClN2O17P2
Molecular formula furigana： C21-H27-CL-N2-O17-P2
Molecular weight： 676.840
InChI： InChI=1S/C21H27ClN2O17P2/c22-9-3-1-8(2-4-9)10-5-24(21(32)23-18(10)31)19-16(29)14(27)12(38-19)7-37-42(33,34)41-43(35,36)40-20-17(30)15(28)13(26)11(6-25)39-20/h1-5,11-17,19-20,25-30H,6-7H2,(H,33,34)(H,35,36)(H,23,31,32)/t11-,12-,13-,14-,15+,16-,17-,19-,20-/m1/s1
InChI key： SUANRPPAIHVAJU-RYIUCRDQSA-N
SMILES： OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(c3ccc(Cl)cc3)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 5-(4-クロロフェニル)ウリジン5′-[二りん酸P2-(α-D-グルコピラノシル)]
  • {[(2R,3S,4R,5R)-5-[5-(4-クロロフェニル)-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル]-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}({[ヒドロキシ({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ})ホスホリル]オキシ})ホスフィン酸
  • {[(2R,3S,4R,5R)-5-[5-(4-chlorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid
Other name (1)：
  • 5-(4-Chlorophenyl)uridine 5′-[diphosphoric acid P2-(α-D-glucopyranosyl)] ester
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