Chem
J-GLOBAL ID:200907000757790726   Nikkaji number:J2.757.666D

N,2′-O,3′-O-Triacetyl-5′-O-(2-oxo-6-nitro-2H,2H,4H-1,3,2-benzodioxaphosphorin-2-yl)cytidine

N,2′-O,3′-O-トリアセチル-5′-O-(2-オキソ-6-ニトロ-2H,2H,4H-1,3,2-ベンゾジオキサホスホリン-2-イル)シチジン
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: C22H23N3[N+]O12[O-]P
Molecular formula furigana: C22-H23-N4-O13-P
Molecular weight: 582.415
InChI: InChI=1S/C22H23N4O13P/c1-11(27)23-18-6-7-25(22(30)24-18)21-20(37-13(3)29)19(36-12(2)28)17(38-21)10-35-40(33)34-9-14-8-15(26(31)32)4-5-16(14)39-40/h4-8,17,19-21H,9-10H2,1-3H3,(H,23,24,27,30)/t17-,19-,20-,21-,40?/m1/s1
InChI key: LPCIBTUQOCUNPR-UZZBRGBESA-N
SMILES: CC(=O)Nc1ccn([C@@H]2O[C@H](COP3(=O)OCc4cc(ccc4O3)[N+](=O)[O-])[C@@H](OC(=O)C)[C@H]2OC(=O)C)c(=O)n1
Systematic name  (3):
  • N,2′-O,3′-O-トリアセチル-5′-O-(2-オキソ-6-ニトロ-2H,2H,4H-1,3,2-ベンゾジオキサホスホリン-2-イル)シチジン
  • (2R,3R,4R,5R)-4-(アセチルオキシ)-5-(4-アセトアミド-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-2-{[(6-ニトロ-2-オキソ-2,4-ジヒドロ-1,3,2λ5-ベンゾジオキサホスフィニン-2-イル)オキシ]メチル}オキソラン-3-イル アセタート
  • (2R,3R,4R,5R)-4-(acetyloxy)-5-(4-acetamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[(6-nitro-2-oxo-2,4-dihydro-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl}oxolan-3-yl acetate
Other name (1):
  • N,2′-O,3′-O-Triacetyl-5′-O-(2-oxo-6-nitro-2H,2H,4H-1,3,2-benzodioxaphosphorin-2-yl)cytidine
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