| 1307843-22-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1307843-22-6
• 化学式: C₃₂H₄₃F₇N₂O₁₅
• 分子量: 828.687
• InChiKey: AGMYVBKGNFFXRT-QORGIVOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.09
• 重原子数：
  56.0
• 可旋转键数：
  16.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  266.19
• 氢给体数：
  10.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  在 Escherichia coli K₅ N-acetyl-D-glucosaminyl transferase 、 heparosan synthase-2 、 magnesium chloride 作用下， 生成
  参考文献：
  名称：

  Chemoenzymatic Design of Heparan Sulfate Oligosaccharides*

  摘要：

  Heparan sulfate is a sulfated glycan that exhibits essential physiological functions. Interrogation of the specificity of heparan sulfate-mediated activities demands a library of structurally defined oligosaccharides. Chemical synthesis of large heparan sulfate oligosaccharides remains challenging. We report the synthesis of oligosaccharides with different sulfation patterns and sizes from a disaccharide building block using glycosyl-transferases, heparan sulfate C-5-epimerase, and sulfotransferases. This method offers a generic approach to prepare heparan sulfate oligosaccharides possessing predictable structures.

  DOI：

  10.1074/jbc.m110.159152
• 作为产物：
  描述：

  (2S,3S,4S,5R,6R)-6-(((2R,3S,4R,5R)-5-(((4-(3,3,4,4,5,5,5-heptafluoropentyl)benzyl)amino)methyl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid 、 尿苷5'-(2-乙酰氨基-2-脱氧-ALPHA-D-葡糖基焦磷酸酯) 在 Escherichia coli K₅ N-acetyl-D-glucosaminyl transferase 、 magnesium chloride 作用下， 生成
  参考文献：
  名称：

  Chemoenzymatic Design of Heparan Sulfate Oligosaccharides*

  摘要：

  Heparan sulfate is a sulfated glycan that exhibits essential physiological functions. Interrogation of the specificity of heparan sulfate-mediated activities demands a library of structurally defined oligosaccharides. Chemical synthesis of large heparan sulfate oligosaccharides remains challenging. We report the synthesis of oligosaccharides with different sulfation patterns and sizes from a disaccharide building block using glycosyl-transferases, heparan sulfate C-5-epimerase, and sulfotransferases. This method offers a generic approach to prepare heparan sulfate oligosaccharides possessing predictable structures.

  DOI：

  10.1074/jbc.m110.159152