[[(1S,3R,4S)-3-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl] [hydroxy-[[(2R,4S,5R)-4-hydroxy-3-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl] 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: [[(1S,3R,4S)-3-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl] [hydroxy-[[(2R,4S,5R)-4-hydroxy-3-methoxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
• 化学式: C24H33N9O18P3+
• 分子量: 828.5
• InChiKey: XXQOSWLQBBDFAG-NVDATNLYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -7.5
• 重原子数：
  54
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  362
• 氢给体数：
  8
• 氢受体数：
  19