| 136869-12-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 136869-12-0
• 化学式: C₁₂H₁₄N₂O₂S*C₄₂H₇₀O₃₅
• 分子量: 1385.32
• InChiKey: ZGAUOYVVWVELDU-ZQOBQRRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.68
• 重原子数：
  94.0
• 可旋转键数：
  9.0
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  617.45
• 氢给体数：
  22.0
• 氢受体数：
  38.0

反应信息

• 作为产物：
  描述：

  丹酰胺 、 β-环糊精 以 水 为溶剂， 生成
  参考文献：
  名称：

  Thermodynamic study on the effects of .beta.-cyclodextrin inclusion with anilinonaphthalenesulfonates

  摘要：

  Thermodynamic parameters and stoichiometries for the binding of anilinonaphthalenesulfonates to beta-cyclodextrin are obtained from steady-state fluorescence intensity and anisotropy measurements. Specifically, formation constant, enthalpy, and entropy values are obtained for complexes of beta-cyclodextrin with eight different substrate molecules at five different temperatures and six different pH values, and their associated errors are given. We propose an explanation of the relative magnitudes of the values obtained with regard to the geometry of the substrate and the importance of the various noncovalent interactions responsible for the complexation.

  DOI：

  10.1021/ac00183a024