[3-[Dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-[4-[2-[[3-[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-dimethylazaniumyl]ethoxy]-2,4-dioxobutyl]-(2-hydroxyethyl)-methylazanium;2-hydroxyethyl-dimethyl-[10-nonyl-2-oxo-10-[8-oxo-8-[2-(trimethylazaniumyl)ethoxy]octyl]icosyl]azanium

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: [3-[Dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-[4-[2-[[3-[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-dimethylazaniumyl]ethoxy]-2,4-dioxobutyl]-(2-hydroxyethyl)-methylazanium;2-hydroxyethyl-dimethyl-[10-nonyl-2-oxo-10-[8-oxo-8-[2-(trimethylazaniumyl)ethoxy]octyl]icosyl]azanium
• 英文别名: [3-[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-[4-[2-[[3-[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-dimethylazaniumyl]ethoxy]-2,4-dioxobutyl]-(2-hydroxyethyl)-methylazanium;2-hydroxyethyl-dimethyl-[10-nonyl-2-oxo-10-[8-oxo-8-[2-(trimethylazaniumyl)ethoxy]octyl]icosyl]azanium
• 化学式: C91H168N8O12+6
• 分子量: 1566.4
• InChiKey: BEBYBYSRPDZZHB-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  13.31
• 重原子数：
  111
• 可旋转键数：
  71
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  226
• 氢给体数：
  6
• 氢受体数：
  12