[5-[3-[2,2-Difluoro-6-methyl-12-phenyl-10-[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]-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-[3-[2,2-Difluoro-6-methyl-12-phenyl-10-[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]-6-[2-[[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-oxohexyl]-methylamino]ethylamino]-6-oxohexyl]-trimethylazanium
• 英文别名: [5-[3-[2,2-difluoro-6-methyl-12-phenyl-10-[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]-6-[2-[[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-oxohexyl]-methylamino]ethylamino]-6-oxohexyl]-trimethylazanium
• 化学式: C44H63BF2N7O9S+
• 分子量: 914.9
• InChiKey: WQYUHWCBPSVLPQ-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.44
• 重原子数：
  64
• 可旋转键数：
  28
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  205
• 氢给体数：
  5
• 氢受体数：
  14