2,2,8,8,14,14,20,20-Octaoxo-2lambda6,8lambda6,14lambda6,20lambda6-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol | 679407-04-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: 2,2,8,8,14,14,20,20-Octaoxo-2lambda6,8lambda6,14lambda6,20lambda6-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol
• 英文别名: 2,2,8,8,14,14,20,20-octaoxo-2λ6,8λ6,14λ6,20λ6-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol
• CAS: 679407-04-6
• 化学式: C₂₄H₁₆O₁₂S₄
• 分子量: 624.648
• InChiKey: GXZKMWUHVHVQCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  251
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  25,26,27,28-tetrahydroxy-2,8,14,20-tetrathiacalix[4]arene 在 sodium peroxoborate tetrahydrate 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以86%的产率得到2,2,8,8,14,14,20,20-Octaoxo-2lambda6,8lambda6,14lambda6,20lambda6-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol
  参考文献：
  名称：

  Modular Assembly of Metal–Organic Supercontainers Incorporating Sulfonylcalixarenes

  摘要：

  A new strategy for the design of container molecules is presented. Sulfonylcalix[4]arenes, which are synthetic macrocyclic containers, are used as building blocks that are combined with various metal ions and tricarboxylate ligands to construct metal organic "supercontainers" (MOSCs). These MOSCs possess both endo and exo cavities and thus mimic the structure of viruses. The synthesis of MOSCs is highly modular, robust, and predictable. The unique features of MOSCs are expected to provide exciting new opportunities for the exploration of their functional applications.

  DOI：

  10.1021/ja300095j