[5-[4-[4-[2-[2,2-Difluoro-6-methyl-12-thiophen-2-yl-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]ethenyl]phenoxy]butanoylamino]-6-[2-[2-[4-[1-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxyethyl]-2-methoxy-5-nitrophenoxy]ethyl-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-[4-[4-[2-[2,2-Difluoro-6-methyl-12-thiophen-2-yl-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]ethenyl]phenoxy]butanoylamino]-6-[2-[2-[4-[1-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxyethyl]-2-methoxy-5-nitrophenoxy]ethyl-methylamino]ethylamino]-6-oxohexyl]-trimethylazanium
• 英文别名: [5-[4-[4-[2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-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]ethenyl]phenoxy]butanoylamino]-6-[2-[2-[4-[1-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxyethyl]-2-methoxy-5-nitrophenoxy]ethyl-methylamino]ethylamino]-6-oxohexyl]-trimethylazanium
• 化学式: C57H72BF2N8O15S2+
• 分子量: 1222.2
• InChiKey: MEMHBTREVGSQAN-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  9.0
• 重原子数：
  85
• 可旋转键数：
  34
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  316
• 氢给体数：
  5
• 氢受体数：
  21