methyl 5-hexyl-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]triazole-4-carboxylate; methyl 5-hexyl-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: methyl 5-hexyl-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]triazole-4-carboxylate; methyl 5-hexyl-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: methyl 5-hexyl-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4-carboxylate;methyl 5-hexyl-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4-carboxylate
• 化学式: C40H58N10O12
• 分子量: 870.9
• InChiKey: CNSLQESLACTAJI-GQNSGLQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  62
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  272
• 氢给体数：
  4
• 氢受体数：
  16