| 1020002-90-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1020002-90-7
• 化学式: C₅₁H₇₁NO₃₀
• 分子量: 1178.11
• InChiKey: HRYQKVWZQZDAEG-CDKDZGIZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.45
• 重原子数：
  82.0
• 可旋转键数：
  10.0
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  483.77
• 氢给体数：
  18.0
• 氢受体数：
  30.0

反应信息

• 作为反应物：
  描述：

  以 甲醇 为溶剂， 反应 1.0h， 以26.3%的产率得到
  参考文献：
  名称：

  Switching between Supramolecular Dimer and Nonthreaded Supramolecular Self-Assembly of Stilbene Amide-α-Cyclodextrin by Photoirradiation

  摘要：

  3-trans-Stilbene amide-alpha-cyclodextrin (3-trans-Sti-alpha-CD) formed a double-threaded dimer in aqueous solutions. In contrast, the photoisomerization of the stilbene moiety in 3-Sti-alpha-CD from trans to cis leads to the structural changes from the double-threaded dimer to nonthreaded supramolecular assemblies in aqueous solutions. The structures of these supramolecular complexes have been found to be controllable by photoirradiation.

  DOI：

  10.1021/ja7113135
• 作为产物：
  描述：

  (E)-4-stilbenecarboxylic acid 、 3A-amino-3A-deoxy-(2AS,3AS)-α-cyclodextrin 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 63.0h， 以33.2%的产率得到
  参考文献：
  名称：

  Switching between Supramolecular Dimer and Nonthreaded Supramolecular Self-Assembly of Stilbene Amide-α-Cyclodextrin by Photoirradiation

  摘要：

  3-trans-Stilbene amide-alpha-cyclodextrin (3-trans-Sti-alpha-CD) formed a double-threaded dimer in aqueous solutions. In contrast, the photoisomerization of the stilbene moiety in 3-Sti-alpha-CD from trans to cis leads to the structural changes from the double-threaded dimer to nonthreaded supramolecular assemblies in aqueous solutions. The structures of these supramolecular complexes have been found to be controllable by photoirradiation.

  DOI：

  10.1021/ja7113135