(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,35R,40R)-5,14,33,42,49,50-hexaoxo-18,29-dioxa-9,10,37,38-tetrathia-6,13,34,41-tetrazaheptacyclo[39.7.1.16,46.04,47.019,24.023,28.043,48]pentaconta-1(48),2,4(47),19,21,23,25,27,43,45-decaene-7,12,35,40-tetracarboxylic acid | 1269512-54-0

• 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,35R,40R)-5,14,33,42,49,50-hexaoxo-18,29-dioxa-9,10,37,38-tetrathia-6,13,34,41-tetrazaheptacyclo[39.7.1.16,46.04,47.019,24.023,28.043,48]pentaconta-1(48),2,4(47),19,21,23,25,27,43,45-decaene-7,12,35,40-tetracarboxylic acid
• CAS: 1269512-54-0
• 化学式: C₄₀H₃₂N₄O₁₆S₄*C₄₄H₄₀N₄O₁₆S₄
• 分子量: 1962.06
• InChiKey: LXVFKSBXBWRAQC-UMEDAIRTSA-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