4-[(8,8,20,20,41,41-Hexamethyl-7,9,19,21,40,42-hexaoxa-2,14,26,35,46,47,48,49-octazadodecacyclo[34.9.1.13,13.115,25.127,34.04,12.06,10.016,24.018,22.028,33.037,45.039,43]nonatetraconta-1(46),2,4,6(10),11,13(49),14,16,18(22),23,25(48),27,29,31,33,35,37,39(43),44-nonadecaen-30-yl)oxy]benzenesulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 4-[(8,8,20,20,41,41-Hexamethyl-7,9,19,21,40,42-hexaoxa-2,14,26,35,46,47,48,49-octazadodecacyclo[34.9.1.13,13.115,25.127,34.04,12.06,10.016,24.018,22.028,33.037,45.039,43]nonatetraconta-1(46),2,4,6(10),11,13(49),14,16,18(22),23,25(48),27,29,31,33,35,37,39(43),44-nonadecaen-30-yl)oxy]benzenesulfonic acid
• 英文别名: 4-[(8,8,20,20,41,41-hexamethyl-7,9,19,21,40,42-hexaoxa-2,14,26,35,46,47,48,49-octazadodecacyclo[34.9.1.13,13.115,25.127,34.04,12.06,10.016,24.018,22.028,33.037,45.039,43]nonatetraconta-1(46),2,4,6(10),11,13(49),14,16,18(22),23,25(48),27,29,31,33,35,37,39(43),44-nonadecaen-30-yl)oxy]benzenesulfonic acid
• 化学式: C₄₇H₃₄N₈O₁₀S
• 分子量: 902.9
• InChiKey: SYHFBXBDWIKRAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  66
• 可旋转键数：
  3
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  236
• 氢给体数：
  3
• 氢受体数：
  16