2,2-Bis[5-carboxy-1,2,3,4,6,7,8,9-octacyano-2,8-bis(cyanomethyl)-7-(1,2-dicyanoethyl)-4-[1,2,3,4,5-pentacyano-2,4-bis(cyanomethyl)pentan-3-yl]-5-[1,2,3,4-tetracyano-3-(cyanomethyl)-1-[1,2,3,4,5-pentacyano-2,4-bis(cyanomethyl)pentan-3-yl]-2-(1,2,3-tricyanopropan-2-yl)butyl]-3,6-bis(1,2,3-tricyanopropan-2-yl)nonan-2-yl]-3,4,5,6-tetracyano-5-(cyanomethyl)-4-(1,2-dicyanoethyl)-3-(1,2,3-tricyanopropan-2-yl)hexanoic acid

• 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: 2,2-Bis[5-carboxy-1,2,3,4,6,7,8,9-octacyano-2,8-bis(cyanomethyl)-7-(1,2-dicyanoethyl)-4-[1,2,3,4,5-pentacyano-2,4-bis(cyanomethyl)pentan-3-yl]-5-[1,2,3,4-tetracyano-3-(cyanomethyl)-1-[1,2,3,4,5-pentacyano-2,4-bis(cyanomethyl)pentan-3-yl]-2-(1,2,3-tricyanopropan-2-yl)butyl]-3,6-bis(1,2,3-tricyanopropan-2-yl)nonan-2-yl]-3,4,5,6-tetracyano-5-(cyanomethyl)-4-(1,2-dicyanoethyl)-3-(1,2,3-tricyanopropan-2-yl)hexanoic acid
• 英文别名: 2,2-bis[5-carboxy-1,2,3,4,6,7,8,9-octacyano-2,8-bis(cyanomethyl)-7-(1,2-dicyanoethyl)-4-[1,2,3,4,5-pentacyano-2,4-bis(cyanomethyl)pentan-3-yl]-5-[1,2,3,4-tetracyano-3-(cyanomethyl)-1-[1,2,3,4,5-pentacyano-2,4-bis(cyanomethyl)pentan-3-yl]-2-(1,2,3-tricyanopropan-2-yl)butyl]-3,6-bis(1,2,3-tricyanopropan-2-yl)nonan-2-yl]-3,4,5,6-tetracyano-5-(cyanomethyl)-4-(1,2-dicyanoethyl)-3-(1,2,3-tricyanopropan-2-yl)hexanoic acid
• 化学式: C₈₂H₄₄N₄₀O₂
• 分子量: 1621.5
• InChiKey: HKIMXEGTGRHPQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.4
• 重原子数：
  124
• 可旋转键数：
  41
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  989
• 氢给体数：
  1
• 氢受体数：
  42