28-Propyl-49-(11-propyl-8-sulfohexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-2-yl)-21-sulfinooxynonadecacyclo[52.6.2.112,24.04,59.05,44.07,16.08,43.09,40.010,15.011,38.013,22.014,19.025,34.027,32.045,58.048,57.051,56.055,60.036,63]trihexaconta-1(61),2,4(59),5,7(16),8,10,12(63),14,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45(58),46,48,50,52,54(62),55(60),56-hentriacontaene-33,41,62-trisulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 28-Propyl-49-(11-propyl-8-sulfohexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-2-yl)-21-sulfinooxynonadecacyclo[52.6.2.112,24.04,59.05,44.07,16.08,43.09,40.010,15.011,38.013,22.014,19.025,34.027,32.045,58.048,57.051,56.055,60.036,63]trihexaconta-1(61),2,4(59),5,7(16),8,10,12(63),14,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45(58),46,48,50,52,54(62),55(60),56-hentriacontaene-33,41,62-trisulfonic acid
• 英文别名: 28-propyl-49-(11-propyl-8-sulfohexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-2-yl)-21-sulfinooxynonadecacyclo[52.6.2.112,24.04,59.05,44.07,16.08,43.09,40.010,15.011,38.013,22.014,19.025,34.027,32.045,58.048,57.051,56.055,60.036,63]trihexaconta-1(61),2,4(59),5,7(16),8,10,12(63),14,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45(58),46,48,50,52,54(62),55(60),56-hentriacontaene-33,41,62-trisulfonic acid
• 化学式: C₉₁H₅₀O₁₅S₅
• 分子量: 1543.7
• InChiKey: DJRPATSPPBAJOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  111
• 可旋转键数：
  11
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  317
• 氢给体数：
  5
• 氢受体数：
  16