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

• 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: 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-5-propyl-triazole-4-carboxylic acid; (3R)-3-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-5-propyl-triazole-4-carboxylic acid
• 英文别名: 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-5-propyltriazole-4-carboxylic acid;3-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-5-propyltriazole-4-carboxylic acid
• 化学式: C32H42N10O12
• 分子量: 758.7
• InChiKey: ZQINAOBYQWCQMN-APSBBCAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.78
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  294
• 氢给体数：
  6
• 氢受体数：
  16