[6-(1-Adamantyl)-5,5-difluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)-1,3-dioxan-2-yl]methyl 2-methylbutanoate;2-[5,5-difluoro-4-hydroxy-4-(trifluoromethyl)-1,3-dioxan-2-yl]propan-2-yl 2-methylbutanoate;[5,5-difluoro-4-hydroxy-4-(trifluoromethyl)-1,3-dioxaspiro[5.5]undecan-9-yl]methyl 2-methylbutanoate;[5,5-difluoro-4-hydroxy-2,6,6-trimethyl-4-(trifluoromethyl)-1,3-dioxan-2-yl]methyl 2-methylbutanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: [6-(1-Adamantyl)-5,5-difluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)-1,3-dioxan-2-yl]methyl 2-methylbutanoate;2-[5,5-difluoro-4-hydroxy-4-(trifluoromethyl)-1,3-dioxan-2-yl]propan-2-yl 2-methylbutanoate;[5,5-difluoro-4-hydroxy-4-(trifluoromethyl)-1,3-dioxaspiro[5.5]undecan-9-yl]methyl 2-methylbutanoate;[5,5-difluoro-4-hydroxy-2,6,6-trimethyl-4-(trifluoromethyl)-1,3-dioxan-2-yl]methyl 2-methylbutanoate
• 英文别名: [6-(1-adamantyl)-5,5-difluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)-1,3-dioxan-2-yl]methyl 2-methylbutanoate;2-[5,5-difluoro-4-hydroxy-4-(trifluoromethyl)-1,3-dioxan-2-yl]propan-2-yl 2-methylbutanoate;[5,5-difluoro-4-hydroxy-4-(trifluoromethyl)-1,3-dioxaspiro[5.5]undecan-9-yl]methyl 2-methylbutanoate;[5,5-difluoro-4-hydroxy-2,6,6-trimethyl-4-(trifluoromethyl)-1,3-dioxan-2-yl]methyl 2-methylbutanoate
• 化学式: C65H94F20O20
• 分子量: 1575.4
• InChiKey: XXEILJVAGGLTAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.82
• 重原子数：
  105
• 可旋转键数：
  21
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  260
• 氢给体数：
  4
• 氢受体数：
  40