[[5-(6-Aminopurin-9-yl)-4-hydroxy-5-methyl-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-[(3,4,5-trihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-8-yl)sulfanyl]ethylamino]propyl]amino]butyl] hydrogen phosphate

• 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-5-methyl-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-[(3,4,5-trihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-8-yl)sulfanyl]ethylamino]propyl]amino]butyl] hydrogen phosphate
• 英文别名: [[5-(6-aminopurin-9-yl)-4-hydroxy-5-methyl-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-[(3,4,5-trihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-8-yl)sulfanyl]ethylamino]propyl]amino]butyl] hydrogen phosphate
• 化学式: C₃₁H₄₅N₈O₁₉P₃S
• 分子量: 958.7
• InChiKey: VDKMCBCPZKDRQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.4
• 重原子数：
  62
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  438
• 氢给体数：
  12
• 氢受体数：
  24