[3-[[4-[1-[[3-Borono-4-[2-(2-methylprop-2-enoylamino)ethyl]pyridin-1-ium-1-yl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[2-[[4-[1-[(2-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[1-[[3-[[3-[5-[(2-methylprop-2-enoylamino)methyl]-1-[[3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-3-yl]boronic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [3-[[4-[1-[[3-Borono-4-[2-(2-methylprop-2-enoylamino)ethyl]pyridin-1-ium-1-yl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[2-[[4-[1-[(2-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[1-[[3-[[3-[5-[(2-methylprop-2-enoylamino)methyl]-1-[[3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-3-yl]boronic acid
• 英文别名: [3-[[4-[1-[[3-borono-4-[2-(2-methylprop-2-enoylamino)ethyl]pyridin-1-ium-1-yl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[2-[[4-[1-[(2-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[1-[[3-[[3-[5-[(2-methylprop-2-enoylamino)methyl]-1-[[3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-3-yl]boronic acid
• 化学式: C109H119B5N14O14+10
• 分子量: 1903.3
• InChiKey: DGSLJWWFBFKNBS-UHFFFAOYSA-R

计算性质

• 辛醇/水分配系数(LogP)：
  0.77
• 重原子数：
  142
• 可旋转键数：
  39
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  358
• 氢给体数：
  14
• 氢受体数：
  14