Chem
J-GLOBAL ID:200907048546607286   Nikkaji number:J1.242.143E

[(5′S)-N-Benzoyl-2′-O,3′-O-isopropylidene-5′-hydroxy-5′-cytidyl]phosphonic acid diethyl ester

[(5′S)-N-ベンゾイル-2′-O,3′-O-イソプロピリデン-5′-ヒドロキシ-5′-シチジル]ホスホン酸ジエチル
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: C23H30N3O9P
Molecular formula furigana: C23-H30-N3-O9-P
Molecular weight: 523.479
InChI: InChI=1S/C23H30N3O9P/c1-5-31-36(30,32-6-2)21(28)18-16-17(35-23(3,4)34-16)20(33-18)26-13-12-15(25-22(26)29)24-19(27)14-10-8-7-9-11-14/h7-13,16-18,20-21,28H,5-6H2,1-4H3,(H,24,25,27,29)/t16-,17+,18-,20+,21-/m0/s1
InChI key: IIOQQZSTUQVRGT-LBHSNNGHSA-N
SMILES: CCOP(=O)(OCC)[C@H](O)[C@H]1O[C@H]([C@@H]2OC(C)(C)O[C@H]12)n1ccc(NC(=O)c2ccccc2)nc1=O
Systematic name  (3):
  • [(5′S)-N-ベンゾイル-2′-O,3′-O-イソプロピリデン-5′-ヒドロキシ-5′-シチジル]ホスホン酸ジエチル
  • ジエチル [(S)-[(3aS,4S,6R,6aR)-6-(4-ベンズアミド-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-2,2-ジメチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-4-イル](ヒドロキシ)メチル]ホスホナート
  • diethyl [(S)-[(3aS,4S,6R,6aR)-6-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl](hydroxy)methyl]phosphonate
Other name (1):
  • [(5′S)-N-Benzoyl-2′-O,3′-O-isopropylidene-5′-hydroxy-5′-cytidyl]phosphonic acid diethyl ester
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