tert-butyl (4S)-5-hydroxy-4-[[(1'S,2'S,6'S,7'R,10'R,13'S)-9'-oxo-11'-[[3-[[(1R,4R,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ylidene]methyl]phenyl]methyl]spiro[1,3-dihydroindene-2,4'-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane]-13'-carbonyl]amino]pentanoate

• 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: tert-butyl (4S)-5-hydroxy-4-[[(1'S,2'S,6'S,7'R,10'R,13'S)-9'-oxo-11'-[[3-[[(1R,4R,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ylidene]methyl]phenyl]methyl]spiro[1,3-dihydroindene-2,4'-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane]-13'-carbonyl]amino]pentanoate
• 化学式: C₄₉H₆₂N₂O₁₀
• 分子量: 839.0
• InChiKey: RLQPZYABXHMBAH-ITCGBPOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  61
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  11