2-Azaniumylethyl 2-(tridecanoylamino)ethyl phosphate;2-[bis(carboxymethyl)-dodecylazaniumyl]acetate;2-[2-[4-(2-ethylhexyl)phenoxy]ethoxymethyl-dimethylazaniumyl]acetate;2-hydroxy-3-(trimethylazaniumyl)propane-1-sulfonate;2-(1-methylpiperidin-1-ium-1-yl)propanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Azaniumylethyl 2-(tridecanoylamino)ethyl phosphate;2-[bis(carboxymethyl)-dodecylazaniumyl]acetate;2-[2-[4-(2-ethylhexyl)phenoxy]ethoxymethyl-dimethylazaniumyl]acetate;2-hydroxy-3-(trimethylazaniumyl)propane-1-sulfonate;2-(1-methylpiperidin-1-ium-1-yl)propanoate
• 英文别名: 2-azaniumylethyl 2-(tridecanoylamino)ethyl phosphate;2-[bis(carboxymethyl)-dodecylazaniumyl]acetate;2-[2-[4-(2-ethylhexyl)phenoxy]ethoxymethyl-dimethylazaniumyl]acetate;2-hydroxy-3-(trimethylazaniumyl)propane-1-sulfonate;2-(1-methylpiperidin-1-ium-1-yl)propanoate
• 化学式: C71H137N6O21PS
• 分子量: 1473.9
• InChiKey: UGFDAKIBRAZQKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.78
• 重原子数：
  100
• 可旋转键数：
  51
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  415
• 氢给体数：
  5
• 氢受体数：
  21