6^A,6^D-di-O-phosphono-β-cyclodextrin | 1051367-22-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6^A,6^D-di-O-phosphono-β-cyclodextrin
• 英文别名: [(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-5,15,20,25,35-pentakis(hydroxymethyl)-30-(phosphonooxymethyl)-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-10-yl]methyl dihydrogen phosphate
• CAS: 1051367-22-6
• 化学式: C₄₂H₇₂O₄₁P₂
• 分子量: 1294.96
• InChiKey: SDTOPOZMAMXIKC-FOUAGVGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -17.2
• 重原子数：
  85
• 可旋转键数：
  11
• 环数：
  21.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  647
• 氢给体数：
  23
• 氢受体数：
  41

反应信息

• 作为产物：
  描述：

  6^A,6^D-di-O-(diphenoxyphosphoryl)-β-cyclodextrin 在 platinum(IV) oxide 水 、 氢气 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以482 mg的产率得到6^A,6^D-di-O-phosphono-β-cyclodextrin
  参考文献：
  名称：

  Effective synthesis of negatively charged cyclodextrins. Selective access to phosphate cyclodextrins

  摘要：

  We report the selective preparation of alpha- and beta-cyclodextrins bearing one and two phosphate moieties on the primary rim. These compounds were prepared by selective O-debenzylation of fully protected derivatives, followed by phosphorylation and deprotection. The synthesis of an a-cyclodextrin with both, a carboxylic group and a phosphate moiety on primary positions is also described. Title compounds are examples of negatively charged cyclodextrins that might be of interest in studying the complexation of cationic guests. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.094

文献信息

• Effective synthesis of negatively charged cyclodextrins. Selective access to phosphate cyclodextrins
  作者：Óscar López、Mikael Bols

  DOI：10.1016/j.tet.2008.05.094

  日期：2008.8

  We report the selective preparation of alpha- and beta-cyclodextrins bearing one and two phosphate moieties on the primary rim. These compounds were prepared by selective O-debenzylation of fully protected derivatives, followed by phosphorylation and deprotection. The synthesis of an a-cyclodextrin with both, a carboxylic group and a phosphate moiety on primary positions is also described. Title compounds are examples of negatively charged cyclodextrins that might be of interest in studying the complexation of cationic guests. (C) 2008 Elsevier Ltd. All rights reserved.