13-(3-Aminopropyl)-6-cyclohexyl-38-dispiro[4.0.46.35]tridecan-12-yl-36-hydroxy-47-methyl-10,34-dioxa-25,39-diazapentadecacyclo[26.19.3.19,12.123,41.01,27.04,49.08,32.09,31.020,37.022,39.025,42.026,45.031,35.032,50.016,52]dopentaconta-4,12,14,16(52),26(45),28(50),35-heptaen-18-yne-11,33-dione

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 13-(3-Aminopropyl)-6-cyclohexyl-38-dispiro[4.0.46.35]tridecan-12-yl-36-hydroxy-47-methyl-10,34-dioxa-25,39-diazapentadecacyclo[26.19.3.19,12.123,41.01,27.04,49.08,32.09,31.020,37.022,39.025,42.026,45.031,35.032,50.016,52]dopentaconta-4,12,14,16(52),26(45),28(50),35-heptaen-18-yne-11,33-dione
• 英文别名: 13-(3-aminopropyl)-6-cyclohexyl-38-dispiro[4.0.46.35]tridecan-12-yl-36-hydroxy-47-methyl-10,34-dioxa-25,39-diazapentadecacyclo[26.19.3.19,12.123,41.01,27.04,49.08,32.09,31.020,37.022,39.025,42.026,45.031,35.032,50.016,52]dopentaconta-4,12,14,16(52),26(45),28(50),35-heptaen-18-yne-11,33-dione
• 化学式: C₇₁H₈₇N₃O₅
• 分子量: 1062.5
• InChiKey: BIMPJRXIMUPYRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  79
• 可旋转键数：
  5
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  8