(2S,3S,4S,5R,6R)-6-[4-[[(2R,3S,4R,5R,6R)-5-acetamido-6-[4-[[(2S,3S,4R,5R,6R)-6-[4-[[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethyl]triazol-1-yl]-2-carboxy-4,5-dihydroxyoxan-3-yl]oxymethyl]triazol-1-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethyl]triazol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid | 1287768-20-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,4S,5R,6R)-6-[4-[[(2R,3S,4R,5R,6R)-5-acetamido-6-[4-[[(2S,3S,4R,5R,6R)-6-[4-[[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethyl]triazol-1-yl]-2-carboxy-4,5-dihydroxyoxan-3-yl]oxymethyl]triazol-1-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethyl]triazol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
• CAS: 1287768-20-0
• 化学式: C₃₇H₅₃N₁₁O₂₃
• 分子量: 1019.89
• InChiKey: UOJUSMMSKBYBMS-ATCFMTGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.9
• 重原子数：
  71
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  492
• 氢给体数：
  14
• 氢受体数：
  29

反应信息

• 作为产物：
  描述：

  在 盐酸 、 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 生成 (2S,3S,4S,5R,6R)-6-[4-[[(2R,3S,4R,5R,6R)-5-acetamido-6-[4-[[(2S,3S,4R,5R,6R)-6-[4-[[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethyl]triazol-1-yl]-2-carboxy-4,5-dihydroxyoxan-3-yl]oxymethyl]triazol-1-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethyl]triazol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
  参考文献：
  名称：

  Design and Synthesis of Unnatural Heparosan and Chondroitin Building Blocks

  摘要：

  Triazole linked heparosan and chondroitin disaccharide and tetrasaccharide building blocks were synthesized in a stereoselective manner by applying a very efficient copper catalyzed azide-alkyne cycloaddition (CuAAC) reaction of appropriately substituted azido-glucuronic acid and propargyluted N-acetyl glucosamine and N-acetyl galactosamine derivative, respectively. The resulting suitably substituted tetrasaccharide analogues can be easily converted into azide and alkyne unit for further synthesis of higher oligosaccharide analogues.

  DOI：

  10.1021/jo200076z