methyl 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-5-propyl-triazole-4-carboxylate; methyl 3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-5-propyl-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 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-5-propyl-triazole-4-carboxylate; methyl 3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-5-propyl-triazole-4-carboxylate
• 英文别名: methyl 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-5-propyltriazole-4-carboxylate;methyl 3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-5-propyltriazole-4-carboxylate
• 化学式: C34H46N10O12
• 分子量: 786.8
• InChiKey: PAXZNYCRXCBGLC-AHQWSQKMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.61
• 重原子数：
  56
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  272
• 氢给体数：
  4
• 氢受体数：
  16