Einecs 272-617-5 | 68892-56-8

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• 英文名称: Einecs 272-617-5
• 英文别名: [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-5-(6-hydroxy-2-imino-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3R,5R)-3-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
• CAS: 68892-56-8
• 化学式: C₇₈H₉₉N₃₀O₄₆P₇
• 分子量: 2409.6
• InChiKey: JRVPMDMVDPQDQJ-SCUGLGKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.1
• 重原子数：
  161
• 可旋转键数：
  44
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  1040
• 氢给体数：
  23
• 氢受体数：
  60