6^A-deoxy-6^A-acetamino-β-cyclodextrin | 117194-79-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6^A-deoxy-6^A-acetamino-β-cyclodextrin
• 英文别名: N-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]acetamide
• CAS: 117194-79-3
• 化学式: C₄₄H₇₃NO₃₅
• 分子量: 1176.05
• InChiKey: YTSPBRTZWLQNHK-LZITWAFGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15
• 重原子数：
  80
• 可旋转键数：
  8
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  563
• 氢给体数：
  21
• 氢受体数：
  35

反应信息

• 作为产物：
  描述：

  乙酸-N-琥珀酰亚胺酯 、 单-6-O-氨基-Β-环糊精 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 6^A-deoxy-6^A-acetamino-β-cyclodextrin
  参考文献：
  名称：

  NMR investigations of the conformation of new cyclodextrin-based amphiphilic transporters for hydrophobic drugs: molecular lollipops

  摘要：

  Amphiphilic compounds, obtained by grafting aliphatic acids onto a modified cyclodextrin, have been synthesized and studied by solution NMR. The large chain-length dependence of the NMR spectra in aqueous media is explained by the possible formation of auto-inclusion complexes. This process has been evidenced by extensive NMR experiments and by competition with potential guests. This new class of molecules ("lollipops") provides important information for the optimization of a design for amphiphilic transporters to be included in organized phases such as micelles or liposomes.

  DOI：

  10.1016/0022-2860(92)87087-c

文献信息

• NMR investigations of the conformation of new cyclodextrin-based amphiphilic transporters for hydrophobic drugs: molecular lollipops
  作者：Nathalie Bellanger、Bruno Perly

  DOI：10.1016/0022-2860(92)87087-c

  日期：1992.10

  Amphiphilic compounds, obtained by grafting aliphatic acids onto a modified cyclodextrin, have been synthesized and studied by solution NMR. The large chain-length dependence of the NMR spectra in aqueous media is explained by the possible formation of auto-inclusion complexes. This process has been evidenced by extensive NMR experiments and by competition with potential guests. This new class of molecules ("lollipops") provides important information for the optimization of a design for amphiphilic transporters to be included in organized phases such as micelles or liposomes.