6,6'-(2,5,8,11,14,17-hexaoxaoctadecane-1,18-diyl)bis(1,3,8-trihydroxyanthracen-9(10H)-one) | 205391-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 6,6'-(2,5,8,11,14,17-hexaoxaoctadecane-1,18-diyl)bis(1,3,8-trihydroxyanthracen-9(10H)-one)
• CAS: 205391-60-2
• 化学式: C₄₀H₄₂O₁₄
• 分子量: 746.765
• InChiKey: CGGOKMWSDULBPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.99
• 重原子数：
  54.0
• 可旋转键数：
  19.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  210.9
• 氢给体数：
  6.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  6,6'-(2,5,8,11,14,17-hexaoxaoctadecane-1,18-diyl)bis(1,3,8-trihydroxyanthracen-9(10H)-one) 在 吡啶-N-氧化物 作用下， 生成 7,9,13,36,40,42-hexahydroxy-17,20,23,26,29,32-hexaoxanonacyclo[32.12.0.02,15.03,12.04,45.05,10.06,43.037,46.039,44]hexatetraconta-1,3,5,7,9,12,14,34,36,39,41,43,45-tridecaene-11,38-dione
  参考文献：
  名称：

  Synthesis and Properties of Ionophore Conjugated Hypericin Derivatives

  摘要：

  Two types of derivatives substituted with ionophoric residues at the omega,omega'-methyl groups of hypericin were synthesized. On the one hand, an open chain triethylene glycol derivative did not form stable complexes with alkali metal ions. Embedded as its detergent salt in lipid bilayer membranes it did not provide specific proton, sodium, or potassium channels. On the other hand, crown-4 and crown-5 hypericin derivatives were able to complex sodium and potassium ions, with the crown-5 compound forming a stable potassium crown complex. In such systems, the hypericinate ion is intramolecularly compensated by the complexed cation, thereby forming an extremal structure within the series of hypericinates.

  DOI：

  10.1007/pl00010159
• 作为产物：
  描述：

  羟丙基淀粉磷酸酯 在 盐酸 、 silver trifluoromethanesulfonate 、 silver perchlorate 、 potassium carbonate 、 tin(ll) chloride 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 2.0h， 生成 6,6'-(2,5,8,11,14,17-hexaoxaoctadecane-1,18-diyl)bis(1,3,8-trihydroxyanthracen-9(10H)-one)
  参考文献：
  名称：

  Synthesis and Properties of Ionophore Conjugated Hypericin Derivatives

  摘要：

  Two types of derivatives substituted with ionophoric residues at the omega,omega'-methyl groups of hypericin were synthesized. On the one hand, an open chain triethylene glycol derivative did not form stable complexes with alkali metal ions. Embedded as its detergent salt in lipid bilayer membranes it did not provide specific proton, sodium, or potassium channels. On the other hand, crown-4 and crown-5 hypericin derivatives were able to complex sodium and potassium ions, with the crown-5 compound forming a stable potassium crown complex. In such systems, the hypericinate ion is intramolecularly compensated by the complexed cation, thereby forming an extremal structure within the series of hypericinates.

  DOI：

  10.1007/pl00010159