(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)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[2-[[(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-5,15,20,25,30,35-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-10-yl]methoxy]ethoxymethyl]-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol | 1239692-34-2

• 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,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[2-[[(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-5,15,20,25,30,35-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-10-yl]methoxy]ethoxymethyl]-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• CAS: 1239692-34-2
• 化学式: C₈₆H₁₄₂O₇₀
• 分子量: 2296.03
• InChiKey: DMIMNEUBCNIDMW-XTDOLBPPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -29.2
• 重原子数：
  156
• 可旋转键数：
  19
• 环数：
  42.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1090
• 氢给体数：
  40
• 氢受体数：
  70

反应信息

• 作为反应物：
  描述：

  (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)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[2-[[(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-5,15,20,25,30,35-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-10-yl]methoxy]ethoxymethyl]-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol 、 中性红 生成
  参考文献：
  名称：

  新型双乙二醇连接双（β-环糊精）的合成及其与有机染料的包合作用

  摘要：

  Three novel bis(β‐cyclodextrin (CD))s with flexible glycol linkers, i.e., ethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (2), diethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (3), and triethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (4) have been synthesized by the reaction of mono[6‐O‐(p‐toluenesulfonyl)]‐β‐CD with corresponding materials. The inclusion complexation behaviors of these

  DOI：

  10.1002/hlca.200900345
• 作为产物：
  描述：

  乙二醇 、 mono-6-deoxy-6-(p-toluenesulfonyl)-β-cyclodextrin 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 以10%的产率得到(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)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[2-[[(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-5,15,20,25,30,35-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-10-yl]methoxy]ethoxymethyl]-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
  参考文献：
  名称：

  新型双乙二醇连接双（β-环糊精）的合成及其与有机染料的包合作用

  摘要：

  Three novel bis(β‐cyclodextrin (CD))s with flexible glycol linkers, i.e., ethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (2), diethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (3), and triethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (4) have been synthesized by the reaction of mono[6‐O‐(p‐toluenesulfonyl)]‐β‐CD with corresponding materials. The inclusion complexation behaviors of these

  DOI：

  10.1002/hlca.200900345

文献信息

• Synthesis of Novel Bis(β-cyclodextrin)s Linked with Glycol and Their Inclusion Complexation with Organic Dyes
  作者：Yong Zhao、Yong Cun Yang、Hao Shi、Hong You Zhu、Rong Huang、Chao Ming Chi、Yan Zhao

  DOI：10.1002/hlca.200900345

  日期：——

  Three novel bis(β‐cyclodextrin (CD))s with flexible glycol linkers, i.e., ethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (2), diethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (3), and triethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (4) have been synthesized by the reaction of mono[6‐O‐(p‐toluenesulfonyl)]‐β‐CD with corresponding materials. The inclusion complexation behaviors of these

  Three novel bis(β‐cyclodextrin (CD))s with flexible glycol linkers, i.e., ethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (2), diethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (3), and triethylene glycol‐bridged bis(6‐hydroxy‐6‐deoxy‐β‐CD) (4) have been synthesized by the reaction of mono[6‐O‐(p‐toluenesulfonyl)]‐β‐CD with corresponding materials. The inclusion complexation behaviors of these