[(2S,8R)-5-[2-[(2R)-1-[2-(1,5-dihydroxy-2-methylpentan-2-yl)peroxyethylperoxymethylperoxy]-3-hydroxy-2-methylpropan-2-yl]peroxyethyl]-5-[2-[(2S)-4-hydroperoxy-1-hydroxy-4-(hydroxymethylperoxy)-2-methylbutan-2-yl]peroxyethyl]-11-hydroxy-8-[[(4R)-6-hydroxy-4-(hydroxymethyl)-4-methylhexyl]peroxymethyl]-2-(hydroxymethyl)-2,8-dimethylundecyl] 3-hydroxypropanoate

• 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: [(2S,8R)-5-[2-[(2R)-1-[2-(1,5-dihydroxy-2-methylpentan-2-yl)peroxyethylperoxymethylperoxy]-3-hydroxy-2-methylpropan-2-yl]peroxyethyl]-5-[2-[(2S)-4-hydroperoxy-1-hydroxy-4-(hydroxymethylperoxy)-2-methylbutan-2-yl]peroxyethyl]-11-hydroxy-8-[[(4R)-6-hydroxy-4-(hydroxymethyl)-4-methylhexyl]peroxymethyl]-2-(hydroxymethyl)-2,8-dimethylundecyl] 3-hydroxypropanoate
• 化学式: C₄₉H₉₈O₂₈
• 分子量: 1135.3
• InChiKey: PDTLTIORLVWJHG-SPTDTCRDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  77
• 可旋转键数：
  58
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  387
• 氢给体数：
  11
• 氢受体数：
  28