7-(3-Aminopropyl)-8'-hydroxy-10',42'-dimethylspiro[2-benzofuran-3,28'-6-oxa-11,17-diazadodecacyclo[32.9.3.111,15.03,24.04,27.04,29.07,27.013,18.017,22.021,41.023,43.037,45]heptatetraconta-3(24),7,19,21,34(46),35,37(45)-heptaen-39-yne]-1,5'-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 7-(3-Aminopropyl)-8'-hydroxy-10',42'-dimethylspiro[2-benzofuran-3,28'-6-oxa-11,17-diazadodecacyclo[32.9.3.111,15.03,24.04,27.04,29.07,27.013,18.017,22.021,41.023,43.037,45]heptatetraconta-3(24),7,19,21,34(46),35,37(45)-heptaen-39-yne]-1,5'-dione
• 英文别名: 7-(3-aminopropyl)-8'-hydroxy-10',42'-dimethylspiro[2-benzofuran-3,28'-6-oxa-11,17-diazadodecacyclo[32.9.3.111,15.03,24.04,27.04,29.07,27.013,18.017,22.021,41.023,43.037,45]heptatetraconta-3(24),7,19,21,34(46),35,37(45)-heptaen-39-yne]-1,5'-dione
• 化学式: C₅₆H₆₁N₃O₅
• 分子量: 856.1
• InChiKey: XHRDNKBLHWMDOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  64
• 可旋转键数：
  3
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  8