Cyclohexane-1,2-diamine;hexadeca-1,3,5,7,9,11,13,15-octaynyl 2-(3,5-diformyl-4-hydroxyphenyl)acetate;hexadeca-1,3,5,7,9,11,13,15-octaynyl 2-[44-(2-hexadeca-2,4,6,8,10,12,14-heptaynoxy-2-oxoethyl)-14,29-bis(2-hexadeca-1,3,5,7,9,11,13,15-octaynoxy-2-oxoethyl)-61,63,64-trihydroxy-62-methyl-3,10,18,25,33,40,48-heptazanonacyclo[55.3.1.112,16.127,31.142,46.04,9.019,24.034,39.049,54]tetrahexaconta-1(60),12(64),13,15,27,29,31(63),42,44,46(62),57(61),58-dodecaen-59-yl]acetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Cyclohexane-1,2-diamine;hexadeca-1,3,5,7,9,11,13,15-octaynyl 2-(3,5-diformyl-4-hydroxyphenyl)acetate;hexadeca-1,3,5,7,9,11,13,15-octaynyl 2-[44-(2-hexadeca-2,4,6,8,10,12,14-heptaynoxy-2-oxoethyl)-14,29-bis(2-hexadeca-1,3,5,7,9,11,13,15-octaynoxy-2-oxoethyl)-61,63,64-trihydroxy-62-methyl-3,10,18,25,33,40,48-heptazanonacyclo[55.3.1.112,16.127,31.142,46.04,9.019,24.034,39.049,54]tetrahexaconta-1(60),12(64),13,15,27,29,31(63),42,44,46(62),57(61),58-dodecaen-59-yl]acetate
• 英文别名: cyclohexane-1,2-diamine;hexadeca-1,3,5,7,9,11,13,15-octaynyl 2-(3,5-diformyl-4-hydroxyphenyl)acetate;hexadeca-1,3,5,7,9,11,13,15-octaynyl 2-[44-(2-hexadeca-2,4,6,8,10,12,14-heptaynoxy-2-oxoethyl)-14,29-bis(2-hexadeca-1,3,5,7,9,11,13,15-octaynoxy-2-oxoethyl)-61,63,64-trihydroxy-62-methyl-3,10,18,25,33,40,48-heptazanonacyclo[55.3.1.112,16.127,31.142,46.04,9.019,24.034,39.049,54]tetrahexaconta-1(60),12(64),13,15,27,29,31(63),42,44,46(62),57(61),58-dodecaen-59-yl]acetate
• 化学式: C162H117N9O16
• 分子量: 2445.7
• InChiKey: NSUWITNSHRHELU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.44
• 重原子数：
  187
• 可旋转键数：
  56
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  383
• 氢给体数：
  13
• 氢受体数：
  25