(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-[[4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-1-yl]methyl]-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol | 1445986-12-8

• 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-[[4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-1-yl]methyl]-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• CAS: 1445986-12-8
• 化学式: C₄₉H₇₉N₃O₃₇
• 分子量: 1302.16
• InChiKey: CHNIHQZBWPSKKF-WUZLKHPLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.8
• 重原子数：
  89
• 可旋转键数：
  10
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  614
• 氢给体数：
  22
• 氢受体数：
  39

反应信息

• 作为产物：
  描述：

  (2R,3S,5R)-5-ethynyl-2-hydroxymethyl-tetrahydro-furan-3-ol 、 6A-叠氮基-6A-脱氧-β-环糊精 在 copper(l) chloride 作用下， 反应 1.0h， 以89%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-[[4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-1-yl]methyl]-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
  参考文献：
  名称：

  A supramolecular DNA self-assembly based on β-cyclodextrin–adamantane complexation as a bioorthogonal sticky end motif

  摘要：

  我们提出了基于δ-环糊精与金刚烷复合物的短 DNA 双链体的线性端对端组装。与相应的天然杂交体相比，组装后的双链体显示出更高的 Tm 值。与外部客体分子的竞争实验表明，末端修饰的双链体的 Tm 值大大降低，这表明双链体之间的复合是可行的。

  DOI：

  10.1039/c3cc43109f