4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-(2-naphthylmethyl)-4-oxo-butanoic acid | 830357-87-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-(2-naphthylmethyl)-4-oxo-butanoic acid
• 英文别名: 4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-(naphthalen-2-ylmethyl)-4-oxobutanoic acid
• CAS: 830357-87-4
• 化学式: C₃₆H₄₈N₇O₁₉P₃S
• 分子量: 1007.8
• InChiKey: BLFNYMNSRZKVBB-JIFARLPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  66
• 可旋转键数：
  25
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  426
• 氢给体数：
  10
• 氢受体数：
  24