[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] phosphate;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[(6-hydroxy-3-oxohexyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] phosphate;butane-1,4-diol

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: [5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] phosphate;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[(6-hydroxy-3-oxohexyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] phosphate;butane-1,4-diol
• 英文别名: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] phosphate;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[(6-hydroxy-3-oxohexyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] phosphate;butane-1,4-diol
• 化学式: C53H86N14O36P6-8
• 分子量: 1681.2
• InChiKey: FIEVJHGOUCQHEO-UHFFFAOYSA-F

计算性质

• 辛醇/水分配系数(LogP)：
  -8.01
• 重原子数：
  109
• 可旋转键数：
  41
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  794
• 氢给体数：
  13
• 氢受体数：
  44