(4-nitrophenyl)methyl 5-(hydroxymethyl)-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]triazole-4-carboxylate; (4-nitrophenyl)methyl 5-(hydroxymethyl)-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]triazole-4-carboxylate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: (4-nitrophenyl)methyl 5-(hydroxymethyl)-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]triazole-4-carboxylate; (4-nitrophenyl)methyl 5-(hydroxymethyl)-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]triazole-4-carboxylate
• 英文别名: (4-nitrophenyl)methyl 5-(hydroxymethyl)-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4-carboxylate;(4-nitrophenyl)methyl 5-(hydroxymethyl)-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4-carboxylate
• 化学式: C42H44N12O18
• 分子量: 1004.9
• InChiKey: HTMJSHNYILUTAE-ASXFGKNCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.57
• 重原子数：
  72
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  404
• 氢给体数：
  6
• 氢受体数：
  22