mono(6-deoxy-6-acrylamido)-α-cyclodextrin | 1263995-35-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: mono(6-deoxy-6-acrylamido)-α-cyclodextrin
• 英文别名: N-[[(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)-31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-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]dotetracontan-5-yl]methyl]prop-2-enamide
• CAS: 1263995-35-2
• 化学式: C₃₉H₆₃NO₃₀
• 分子量: 1025.92
• InChiKey: MCFWIHYWISXZDW-IPMMYXBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.3
• 重原子数：
  70
• 可旋转键数：
  8
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  484
• 氢给体数：
  18
• 氢受体数：
  30

反应信息

• 作为产物：
  描述：

  6-deoxy-6-amino-α-cyclodextrin 、 丙烯酰氯 在 碳酸氢钠 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 6.0h， 以54%的产率得到mono(6-deoxy-6-acrylamido)-α-cyclodextrin
  参考文献：
  名称：

  Macroscopic Observations of Molecular Recognition: Discrimination of the Substituted Position on the Naphthyl Group by Polyacrylamide Gel Modified with β-Cyclodextrin

  摘要：

  Macroscopic molecular recognition observations were realized using polyacrylamide-based gels modified with alpha-cyclodextrin (alpha-CD), beta-cyclodextrin (beta-CD), 1-naphthylmethyl (1Np), and 2-naphthylmethyl (2Np) moieties, which are denoted as alpha CD(x)-gel, beta CD(x)-gel, 1Np(y)-gel, and 2Np(y)-gel, where x and y indicate the mol % of CD and Np moieties, respectively. The alpha CD(5)-gel did not adhere to either the 1Np(5)-gel or 2Np(5)-gel, whereas the beta CD (5)-gel interacted with both to form alternating or checkered assemblies. Although the difference in the association constants of beta-CD for the model polymers was small, the beta CD(x)-gel successfully discriminated between 1Np(y)-gel and 2Np(y)-gel at the appropriate x and y.

  DOI：

  10.1021/la2034142