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Chem
J-GLOBAL ID:200907095580535802   Nikkaji number:J1.579.266C

5′-Cytidylic acid [[N-acetyl-2-decarboxy-2,4-dideoxy-3,4-didehydro-α-neuraminic acid-2-ylidene](oxylatophosphinyl)methyl] ester

5′-シチジル酸[[N-アセチル-2-デカルボキシ-2,4-ジデオキシ-3,4-ジデヒドロ-α-ノイラミン酸-2-イリデン](オキシラトホスフィニル)メチル]
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: C20H29N4O14[O-]P2
Molecular formula furigana: C20-H29-N4-O15-P2
Molecular weight: 627.413
InChI: InChI=1S/C20H30N4O15P2/c1-8(26)22-9-2-3-11(37-17(9)14(28)10(27)6-25)19(40(32)33)39-41(34,35)36-7-12-15(29)16(30)18(38-12)24-5-4-13(21)23-20(24)31/h2-5,9-10,12,14-18,25,27-30,40H,6-7H2,1H3,(H,22,26)(H,32,33)(H,34,35)(H2,21,23,31)/p-1/t9-,10-,12-,14-,15-,16-,17-,18-/m1/s1
InChI key: CZRWFXTWWXBXFU-WWPZHDOZSA-M
SMILES: CC(=O)N[C@@H]1C=CC(=C(OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)P(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO
Systematic name  (3):
  • 5′-シチジル酸[[N-アセチル-2-デカルボキシ-2,4-ジデオキシ-3,4-ジデヒドロ-α-ノイラミン酸-2-イリデン](オキシラトホスフィニル)メチル]
  • {[({[(2R,3S,4R,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-3,4-ジ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][(5R,6R)-5-アセトアミド-6-[(1R,2R)-1,2,3-トリヒドロキシプロピル]-5,6-ジヒドロ-2H-ピラン-2-イリデン]メチル}ホスフィナート
  • {[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(5R,6R)-5-acetamido-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-2H-pyran-2-ylidene]methyl}phosphinate
Other name (1):
  • 5′-Cytidylic acid [[N-acetyl-2-decarboxy-2,4-dideoxy-3,4-didehydro-α-neuraminic acid-2-ylidene](oxylatophosphinyl)methyl] ester
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