(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;(9R,14R,31R,36R)-7,16,29,38-tetraoxo-5,18,27,40-tetraoxa-11,12,33,34-tetrathia-8,15,30,37-tetrazapentacyclo[39.3.1.14,44.119,23.122,26]octatetraconta-1(44),2,4(46),19(48),20,22,24,26(47),41(45),42-decaene-9,14,31,36-tetracarboxylic acid | 1269512-60-8

• 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,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;(9R,14R,31R,36R)-7,16,29,38-tetraoxo-5,18,27,40-tetraoxa-11,12,33,34-tetrathia-8,15,30,37-tetrazapentacyclo[39.3.1.14,44.119,23.122,26]octatetraconta-1(44),2,4(46),19(48),20,22,24,26(47),41(45),42-decaene-9,14,31,36-tetracarboxylic acid
• CAS: 1269512-60-8
• 化学式: C₄₀H₄₀N₄O₁₆S₄*C₄₄H₄₀N₄O₁₆S₄
• 分子量: 1970.12
• InChiKey: GSTJWYOQQNKIKM-LUAMFUJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.29
• 重原子数：
  132
• 可旋转键数：
  8
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  806
• 氢给体数：
  14
• 氢受体数：
  40