[5-[[2-[3-[2,2-Difluoro-12-phenyl-10-[3-(trimethylazaniumyl)propyl]-6-[3-(trioxidanylsulfanyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoylamino]-3-(trioxidanylsulfanyl)propanoyl]amino]-6-[2-[[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-oxohexyl]-methylamino]ethylamino]-6-oxohexyl]-trimethylazanium

• 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: [5-[[2-[3-[2,2-Difluoro-12-phenyl-10-[3-(trimethylazaniumyl)propyl]-6-[3-(trioxidanylsulfanyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoylamino]-3-(trioxidanylsulfanyl)propanoyl]amino]-6-[2-[[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-oxohexyl]-methylamino]ethylamino]-6-oxohexyl]-trimethylazanium
• 英文别名: [5-[[2-[3-[2,2-difluoro-12-phenyl-10-[3-(trimethylazaniumyl)propyl]-6-[3-(trioxidanylsulfanyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoylamino]-3-(trioxidanylsulfanyl)propanoyl]amino]-6-[2-[[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-oxohexyl]-methylamino]ethylamino]-6-oxohexyl]-trimethylazanium
• 化学式: C52H80BF2N9O13S2+2
• 分子量: 1152.2
• InChiKey: RNGWLTORPDVDIW-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  5.32
• 重原子数：
  79
• 可旋转键数：
  38
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  298
• 氢给体数：
  7
• 氢受体数：
  19