[2-[[3-[1-[(2-Boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[[6-[[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-3-carbonyl]amino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]carbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;ethane

• 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: [2-[[3-[1-[(2-Boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[[6-[[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-3-carbonyl]amino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]carbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;ethane
• 英文别名: [2-[[3-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[[6-[[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-3-carbonyl]amino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]carbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;ethane
• 化学式: C89H98B6N10O16+6
• 分子量: 1628.7
• InChiKey: VWHYSTPARZLQKW-UHFFFAOYSA-R

计算性质

• 辛醇/水分配系数(LogP)：
  -1.63
• 重原子数：
  121
• 可旋转键数：
  36
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  382
• 氢给体数：
  16
• 氢受体数：
  16