2-[13-Amino-11-[4-[5-[2-[4-hydroxy-3-[2-hydroxy-2-[9-[(2-hydroxypropylamino)methyl]spiro[3,4,5a,6,7,8,8a,9-octahydroazuleno[6,5-b]pyrrole-5,1'-cyclopentane]-2-yl]ethoxy]phenyl]ethyl]-3-(hydroxymethyl)furan-2-yl]butyl]-7-methyl-3,4-dithiabicyclo[8.3.1]tetradecan-6-yl]-1-cyclopentylguanidine

• 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: 2-[13-Amino-11-[4-[5-[2-[4-hydroxy-3-[2-hydroxy-2-[9-[(2-hydroxypropylamino)methyl]spiro[3,4,5a,6,7,8,8a,9-octahydroazuleno[6,5-b]pyrrole-5,1'-cyclopentane]-2-yl]ethoxy]phenyl]ethyl]-3-(hydroxymethyl)furan-2-yl]butyl]-7-methyl-3,4-dithiabicyclo[8.3.1]tetradecan-6-yl]-1-cyclopentylguanidine
• 英文别名: 2-[13-amino-11-[4-[5-[2-[4-hydroxy-3-[2-hydroxy-2-[9-[(2-hydroxypropylamino)methyl]spiro[3,4,5a,6,7,8,8a,9-octahydroazuleno[6,5-b]pyrrole-5,1'-cyclopentane]-2-yl]ethoxy]phenyl]ethyl]-3-(hydroxymethyl)furan-2-yl]butyl]-7-methyl-3,4-dithiabicyclo[8.3.1]tetradecan-6-yl]-1-cyclopentylguanidine
• 化学式: C₅₈H₉₀N₆O₆S₂
• 分子量: 1031.5
• InChiKey: MPBURBQXYGXSPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  72
• 可旋转键数：
  20
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  258
• 氢给体数：
  9
• 氢受体数：
  11