(1R,7R,8S,9S,10R,11R,17R,18S,19S,20R,21R,27R,28S,29S,30R,31R,37R,38S,39S,40R,41R,47R,48S,49S,50R,51R,57R,58S,59S,60R)-61,63,65,67,69,71-hexaoxa-3,4,5,13,14,15,23,24,25,33,34,35,43,44,45,53,54,55-octadecazatridecacyclo[55.3.1.12,5.17,11.112,15.117,21.122,25.127,31.132,35.137,41.142,45.147,51.152,55]doheptaconta-2(72),3,12(70),13,22(68),23,32(66),33,42(64),43,52(62),53-dodecaene-8,9,10,18,19,20,28,29,30,38,39,40,48,49,50,58,59,60-octadecol | 1268818-91-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (1R,7R,8S,9S,10R,11R,17R,18S,19S,20R,21R,27R,28S,29S,30R,31R,37R,38S,39S,40R,41R,47R,48S,49S,50R,51R,57R,58S,59S,60R)-61,63,65,67,69,71-hexaoxa-3,4,5,13,14,15,23,24,25,33,34,35,43,44,45,53,54,55-octadecazatridecacyclo[55.3.1.12,5.17,11.112,15.117,21.122,25.127,31.132,35.137,41.142,45.147,51.152,55]doheptaconta-2(72),3,12(70),13,22(68),23,32(66),33,42(64),43,52(62),53-dodecaene-8,9,10,18,19,20,28,29,30,38,39,40,48,49,50,58,59,60-octadecol
• CAS: 1268818-91-2
• 化学式: C₄₈H₆₆N₁₈O₂₄
• 分子量: 1279.16
• InChiKey: XAMWGDXMBJMIRC-LZJZZLLASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -17.4
• 重原子数：
  90
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  604
• 氢给体数：
  18
• 氢受体数：
  36

反应信息

• 作为产物：
  描述：

  在 palladium 10% on activated carbon 、 甲酸铵 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 16.0h， 以27 mg的产率得到(1R,7R,8S,9S,10R,11R,17R,18S,19S,20R,21R,27R,28S,29S,30R,31R,37R,38S,39S,40R,41R,47R,48S,49S,50R,51R,57R,58S,59S,60R)-61,63,65,67,69,71-hexaoxa-3,4,5,13,14,15,23,24,25,33,34,35,43,44,45,53,54,55-octadecazatridecacyclo[55.3.1.12,5.17,11.112,15.117,21.122,25.127,31.132,35.137,41.142,45.147,51.152,55]doheptaconta-2(72),3,12(70),13,22(68),23,32(66),33,42(64),43,52(62),53-dodecaene-8,9,10,18,19,20,28,29,30,38,39,40,48,49,50,58,59,60-octadecol
  参考文献：
  名称：

  Convergent synthesis and inclusion properties of novel C_n-symmetric triazole-linked cycloglucopyranosides

  摘要：

  我们提出了一种基于CuAAC的收敛合成方法，用于分别显示两个、四个和六个糖残基的三碳连接的环状葡萄糖苷，以及作为糖苷间间隔物的三唑环。 事实证明，具有最大空腔的术语可作为8-苯胺基-1-萘磺酸的载体。

  DOI：

  10.1039/c0cc04127k