Chem
J-GLOBAL ID:201907015841709416   Nikkaji number:J3.737.154H

[(2R,3R,4S,5R)-5-[(benzoyloxy)methyl]-2-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl benzoate

[(2R,3R,4S,5R)-5-[(ベンゾイルオキシ)メチル]-2-(2,4-ジオキソ-3H-ピリミジン-1-イル)-3,4-ジヒドロキシオキソラン-2-イル]メチルベンゾアート
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: C24H22N2O9
Molecular formula furigana: C24-H22-N2-O9
Molecular weight: 482.445
InChI: InChI=1S/C24H22N2O9/c27-18-11-12-26(23(32)25-18)24(14-34-22(31)16-9-5-2-6-10-16)20(29)19(28)17(35-24)13-33-21(30)15-7-3-1-4-8-15/h1-12,17,19-20,28-29H,13-14H2,(H,25,27,32)/t17-,19-,20-,24-/m1/s1
InChI key: XEQDQZULNSFLGQ-AGFSROSKSA-N
SMILES: O(C[C@H]1O[C@](COC(=O)c2ccccc2)([C@H](O)[C@@H]1O)n1c(=O)[nH]c(=O)cc1)C(=O)c1ccccc1
Systematic name  (3):
  • (2R)-1-O,6-O-ジベンゾイル-2-デオキシ-2-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-D-プシコフラノース
  • [(2R,3R,4S,5R)-5-[(ベンゾイルオキシ)メチル]-2-(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]メチルベンゾアート
  • [(2R,3R,4S,5R)-5-[(benzoyloxy)methyl]-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl benzoate
Other name (2):
  • [(2R,3R,4S,5R)-5-[(ベンゾイルオキシ)メチル]-2-(2,4-ジオキソ-3H-ピリミジン-1-イル)-3,4-ジヒドロキシオキソラン-2-イル]メチルベンゾアート
  • [(2R,3R,4S,5R)-5-[(benzoyloxy)methyl]-2-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl benzoate
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