5,13,21,29,37,45,53-Heptamethyl-1,9,17,25,33,41,49-heptaoxa-4,12,20,28,36,44,52-heptazacyclohexapentacontane-8,16,24,32,40,48,56-heptone;5,19,33,47-tetramethyl-1,15,29,43-tetraoxa-4,18,32,46-tetrazacyclohexapentacontane-14,28,42,56-tetrone;5,13,27-trimethyl-1,9,23-trioxa-4,12,26-triazacyclohexatriacontane-8,22,36-trione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 5,13,21,29,37,45,53-Heptamethyl-1,9,17,25,33,41,49-heptaoxa-4,12,20,28,36,44,52-heptazacyclohexapentacontane-8,16,24,32,40,48,56-heptone;5,19,33,47-tetramethyl-1,15,29,43-tetraoxa-4,18,32,46-tetrazacyclohexapentacontane-14,28,42,56-tetrone;5,13,27-trimethyl-1,9,23-trioxa-4,12,26-triazacyclohexatriacontane-8,22,36-trione
• 英文别名: 5,13,21,29,37,45,53-heptamethyl-1,9,17,25,33,41,49-heptaoxa-4,12,20,28,36,44,52-heptazacyclohexapentacontane-8,16,24,32,40,48,56-heptone;5,19,33,47-tetramethyl-1,15,29,43-tetraoxa-4,18,32,46-tetrazacyclohexapentacontane-14,28,42,56-tetrone;5,13,27-trimethyl-1,9,23-trioxa-4,12,26-triazacyclohexatriacontane-8,22,36-trione
• 化学式: C134H254N14O28
• 分子量: 2509.5
• InChiKey: XFWGFXIRXWNLHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.26
• 重原子数：
  176
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  537
• 氢给体数：
  14
• 氢受体数：
  42