4-{3,4-Dihydroxy-6-hydroxymethyl-5-[4-hydroxy-8-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-2,6-dioxa-bicyclo[3.2.1]oct-3-yloxy]-tetrahydro-pyran-2-yloxy}-hexane-1,2,3,5,6-pentaol | 113647-89-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-{3,4-Dihydroxy-6-hydroxymethyl-5-[4-hydroxy-8-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-2,6-dioxa-bicyclo[3.2.1]oct-3-yloxy]-tetrahydro-pyran-2-yloxy}-hexane-1,2,3,5,6-pentaol
• 英文别名: 4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[[4-hydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
• CAS: 113647-89-5
• 化学式: C₂₄H₄₂O₂₀
• 分子量: 650.585
• InChiKey: FGZADVBRRYJOIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.5
• 重原子数：
  44
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  328
• 氢给体数：
  13
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 4-{3,4-Dihydroxy-6-hydroxymethyl-5-[4-hydroxy-8-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-2,6-dioxa-bicyclo[3.2.1]oct-3-yloxy]-tetrahydro-pyran-2-yloxy}-hexane-1,2,3,5,6-pentaol 以 吡啶 为溶剂， 反应 48.0h， 生成 Acetic acid 3-{4,5-diacetoxy-2-acetoxymethyl-6-[2,3,4-triacetoxy-1-(1,2-diacetoxy-ethyl)-butoxy]-tetrahydro-pyran-3-yloxy}-8-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-2,6-dioxa-bicyclo[3.2.1]oct-4-yl ester
  参考文献：
  名称：

  Synthesis of 6A,6X-di-O-(p-tosyl)-.gamma.-cyclodextrins and their structural determination through enzymic hydrolysis of 3A,6A;3X,6X-dianhydro-.gamma.-cyclodextrins

  摘要：

  DOI：

  10.1021/jo00244a018
• 作为产物：
  描述：

  3'',6''-anhydromaltotetraose 在 sodium tetrahydroborate 作用下， 以 水 为溶剂， 反应 6.0h， 以71.1%的产率得到4-{3,4-Dihydroxy-6-hydroxymethyl-5-[4-hydroxy-8-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-2,6-dioxa-bicyclo[3.2.1]oct-3-yloxy]-tetrahydro-pyran-2-yloxy}-hexane-1,2,3,5,6-pentaol
  参考文献：
  名称：

  Synthesis of 6A,6X-di-O-(p-tosyl)-.gamma.-cyclodextrins and their structural determination through enzymic hydrolysis of 3A,6A;3X,6X-dianhydro-.gamma.-cyclodextrins

  摘要：

  DOI：

  10.1021/jo00244a018