But-3-en-2-one;hexadeca-1,3,5,7,9,11,13,15-octaynyl 2-[20-(2-hexadeca-2,4,6,8,10,12,14-heptaynoxy-2-oxoethyl)-34,48-bis(2-hexadeca-1,3,5,7,9,11,13,15-octaynoxy-2-oxoethyl)-58,60,62,64-tetramethyl-2,17,24,30,38,44,52-hepta(prop-2-enoyl)-2,10,16,24,30,38,44,52-octazanonacyclo[51.3.1.14,8.111,15.118,22.125,29.132,36.139,43.146,50]tetrahexaconta-4,6,8(64),18,20,22(62),32,34,36(60),46,48,50(58)-dodecaen-6-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: But-3-en-2-one;hexadeca-1,3,5,7,9,11,13,15-octaynyl 2-[20-(2-hexadeca-2,4,6,8,10,12,14-heptaynoxy-2-oxoethyl)-34,48-bis(2-hexadeca-1,3,5,7,9,11,13,15-octaynoxy-2-oxoethyl)-58,60,62,64-tetramethyl-2,17,24,30,38,44,52-hepta(prop-2-enoyl)-2,10,16,24,30,38,44,52-octazanonacyclo[51.3.1.14,8.111,15.118,22.125,29.132,36.139,43.146,50]tetrahexaconta-4,6,8(64),18,20,22(62),32,34,36(60),46,48,50(58)-dodecaen-6-yl]acetate
• 英文别名: but-3-en-2-one;hexadeca-1,3,5,7,9,11,13,15-octaynyl 2-[20-(2-hexadeca-2,4,6,8,10,12,14-heptaynoxy-2-oxoethyl)-34,48-bis(2-hexadeca-1,3,5,7,9,11,13,15-octaynoxy-2-oxoethyl)-58,60,62,64-tetramethyl-2,17,24,30,38,44,52-hepta(prop-2-enoyl)-2,10,16,24,30,38,44,52-octazanonacyclo[51.3.1.14,8.111,15.118,22.125,29.132,36.139,43.146,50]tetrahexaconta-4,6,8(64),18,20,22(62),32,34,36(60),46,48,50(58)-dodecaen-6-yl]acetate
• 化学式: C157H120N8O16
• 分子量: 2374.7
• InChiKey: MQVKTLABIAYWSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.83
• 重原子数：
  181
• 可旋转键数：
  52
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  285
• 氢给体数：
  2
• 氢受体数：
  18