(7R,12R,29R,34R)-5,14,27,36,43,44-hexaoxo-16,25-dioxa-9,10,31,32-tetrathia-6,13,28,35-tetrazaheptacyclo[33.7.1.16,40.117,21.120,24.04,41.037,42]hexatetraconta-1(42),2,4(41),17(46),18,20,22,24(45),37,39-decaene-7,12,29,34-tetracarboxylic acid;(7R,12R,33R,38R)-5,14,31,40,47,48-hexaoxo-18,27-dioxa-9,10,35,36-tetrathia-6,13,32,39-tetrazaheptacyclo[37.7.1.16,44.119,23.122,26.04,45.041,46]pentaconta-1(46),2,4(45),19(50),20,22,24,26(49),41,43-decaene-7,12,33,38-tetracarboxylic acid | 1269512-58-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (7R,12R,29R,34R)-5,14,27,36,43,44-hexaoxo-16,25-dioxa-9,10,31,32-tetrathia-6,13,28,35-tetrazaheptacyclo[33.7.1.16,40.117,21.120,24.04,41.037,42]hexatetraconta-1(42),2,4(41),17(46),18,20,22,24(45),37,39-decaene-7,12,29,34-tetracarboxylic acid;(7R,12R,33R,38R)-5,14,31,40,47,48-hexaoxo-18,27-dioxa-9,10,35,36-tetrathia-6,13,32,39-tetrazaheptacyclo[37.7.1.16,44.119,23.122,26.04,45.041,46]pentaconta-1(46),2,4(45),19(50),20,22,24,26(49),41,43-decaene-7,12,33,38-tetracarboxylic acid
• CAS: 1269512-58-4
• 化学式: C₄₀H₃₂N₄O₁₆S₄*C₄₄H₄₀N₄O₁₆S₄
• 分子量: 1962.06
• InChiKey: BOQKXSSLLQBBIR-ZGCXSACPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.49
• 重原子数：
  132
• 可旋转键数：
  8
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  804
• 氢给体数：
  12
• 氢受体数：
  40