(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25-pentakis(hydroxymethyl)-30-[[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol | 1186078-60-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25-pentakis(hydroxymethyl)-30-[[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
• CAS: 1186078-60-3
• 化学式: C₄₂H₆₂N₄O₃₂
• 分子量: 1134.96
• InChiKey: GREORGLLVLDCGQ-WMXFRISOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.4
• 重原子数：
  78
• 可旋转键数：
  8
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  551
• 氢给体数：
  18
• 氢受体数：
  35

反应信息

• 作为产物：
  描述：

  6-deoxy-6-amino-α-cyclodextrin 、 4-氯-7-硝基苯并-2-氧杂-1,3-二唑 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以75.9%的产率得到(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25-pentakis(hydroxymethyl)-30-[[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
  参考文献：
  名称：

  Fluorescent α-cyclodextrin as a chemosensor for halomethanes

  摘要：

  一种新的荧光化学传感器——NBD胺-β-环糊精复合物已经制备完成，通过多位置相互作用，该传感器对全卤代甲烷具有高度选择性。

  DOI：

  10.1039/b907629h

文献信息

• Fluorescent α-cyclodextrin as a chemosensor for halomethanes
  作者：Hiroshi Ikeda、Akihiko Ueno

  DOI：10.1039/b907629h

  日期：——

  A new fluorescent chemosensor, NBDamine-appended α-cyclodextrin, was prepared and showed high selectivity for perhalogenated methanes via multisite interactions between the perhalogenated methane and the cyclodextrin molecule.

  一种新的荧光化学传感器——NBD胺-β-环糊精复合物已经制备完成，通过多位置相互作用，该传感器对全卤代甲烷具有高度选择性。