2-[16-(6-Amino-1,2-dihydropyridin-3-yl)-27,36-dihydroxy-34,38-dimethyl-35-undecacyclo[24.14.3.11,26.03,12.04,30.06,11.013,22.014,19.031,39.034,38.030,44]tetratetraconta-2,5,7,9,11,14(19),15,17,20,31(39),41-undecaen-23-ynyl]-6-cyclohexyl-5-methylideneheptanoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 2-[16-(6-Amino-1,2-dihydropyridin-3-yl)-27,36-dihydroxy-34,38-dimethyl-35-undecacyclo[24.14.3.11,26.03,12.04,30.06,11.013,22.014,19.031,39.034,38.030,44]tetratetraconta-2,5,7,9,11,14(19),15,17,20,31(39),41-undecaen-23-ynyl]-6-cyclohexyl-5-methylideneheptanoic acid
• 英文别名: 2-[16-(6-amino-1,2-dihydropyridin-3-yl)-27,36-dihydroxy-34,38-dimethyl-35-undecacyclo[24.14.3.11,26.03,12.04,30.06,11.013,22.014,19.031,39.034,38.030,44]tetratetraconta-2,5,7,9,11,14(19),15,17,20,31(39),41-undecaen-23-ynyl]-6-cyclohexyl-5-methylideneheptanoic acid
• 化学式: C₆₅H₇₄N₂O₄
• 分子量: 947.3
• InChiKey: NCLMTEPXTCMJRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  71
• 可旋转键数：
  8
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  116
• 氢给体数：
  5
• 氢受体数：
  6