[5-[3-[2,2-Difluoro-12-phenyl-6,10-bis[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-[[1-[2-[2-[4-[1-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxyethyl]-2-formyl-5-nitrophenoxy]ethyl-methylamino]ethylamino]-1-oxo-6-(trimethylazaniumyl)hexan-2-yl]amino]-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-12-phenyl-6,10-bis[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-[[1-[2-[2-[4-[1-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxyethyl]-2-formyl-5-nitrophenoxy]ethyl-methylamino]ethylamino]-1-oxo-6-(trimethylazaniumyl)hexan-2-yl]amino]-6-oxohexyl]-trimethylazanium
• 英文别名: [5-[3-[2,2-difluoro-12-phenyl-6,10-bis[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-[[1-[2-[2-[4-[1-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxyethyl]-2-formyl-5-nitrophenoxy]ethyl-methylamino]ethylamino]-1-oxo-6-(trimethylazaniumyl)hexan-2-yl]amino]-6-oxohexyl]-trimethylazanium
• 化学式: C61H87BF2N10O18S2+2
• 分子量: 1361.3
• InChiKey: JBFOAYNKENIGHQ-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  94
• 可旋转键数：
  43
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  380
• 氢给体数：
  7
• 氢受体数：
  24