9-hydroxy-9-(1-hydroxy-6,7-dihydro-5H-1,8-naphthyridin-2-yl)-3-(2-methylpyrimidin-5-yl)nonanoic acid;10-hydroxy-4-(2-methyl-1-oxidopyrimidin-1-ium-5-yl)-10-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)decan-2-one;9-hydroxy-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;9-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-(2-methylpyrimidin-5-yl)nonanoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 9-hydroxy-9-(1-hydroxy-6,7-dihydro-5H-1,8-naphthyridin-2-yl)-3-(2-methylpyrimidin-5-yl)nonanoic acid;10-hydroxy-4-(2-methyl-1-oxidopyrimidin-1-ium-5-yl)-10-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)decan-2-one;9-hydroxy-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;9-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-(2-methylpyrimidin-5-yl)nonanoic acid
• 化学式: C89H122N16O13
• 分子量: 1624.0
• InChiKey: VOQLFBLXZIPOAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.27
• 重原子数：
  118
• 可旋转键数：
  40
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  436
• 氢给体数：
  11
• 氢受体数：
  27