[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-[[5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentyl]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-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-[[5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentyl]amino]-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-[[5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentyl]amino]-6-oxohexyl]-trimethylazanium
• 化学式: C40H54BF2N6O9S+
• 分子量: 843.8
• InChiKey: HSKVYAXZNCHGRP-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.11
• 重原子数：
  59
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  202
• 氢给体数：
  5
• 氢受体数：
  13