(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)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]methyl]-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 | 946153-19-1

• 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)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]methyl]-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: 946153-19-1
• 化学式: C₅₁H₈₃N₃O₄₀
• 分子量: 1378.22
• InChiKey: XPYLFULBOABCAV-NKYWRTCESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -17.4
• 重原子数：
  94
• 可旋转键数：
  12
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  664
• 氢给体数：
  24
• 氢受体数：
  42

反应信息

• 作为产物：
  描述：

  在 甲醇 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 60.0h， 以90%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)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]methyl]-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：

  Click multivalent neoglycoconjugates as synthetic activators in cell adhesion and stimulation of monocyte/machrophage cell lines

  摘要：

  描述了一种通过Cu(I)催化的叠氮-炔 1,3-偶极环加成（“点击化学”）高效合成荧光和非荧光多价新糖结合物的方法。选择了呈现半乳糖或乳糖表位的明确定义的糖聚合物、糖环糊精或糖簇结构。使用U-937和RAW 264.7单核细胞/巨噬细胞的细胞测定表明，这些糖化合物有能力作为合成激活剂，模仿脂多糖（LPS）的效应。因此，这些点击化合物促进细胞粘附和单核细胞的刺激，表现为TNFα量的增加，促进其向巨噬细胞的分化。

  DOI：

  10.1039/b706331h