| 1350539-41-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1350539-41-1
• 化学式: C₂₆H₃₈F₃NO₂₂
• 分子量: 773.576
• InChiKey: AUHAEGJMFDMACM-LYOZDICSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.2
• 重原子数：
  52.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  370.61
• 氢给体数：
  13.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  在 Escherichia coli K₅ N-acetyl-D-glucosaminyl transferase 、 heparosan synthase-2 、 N-sulfotransferase 、 水 、 三乙胺 、 6-氨基-9-[3-羟基-5-[(羟基-磺基氧基-磷酰)氧基甲基]-4-膦酰氧基-四氢呋喃-2-基]-嘌呤 、 magnesium chloride 作用下， 以 甲醇 为溶剂， 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：

  trifluoroacetylglucosamine 1-phosphate 在 无机焦磷酸酶 、 Escherichia coli K₅ N-acetyl-D-glucosaminyl transferase 、 glucosamine-1-phosphate acetyltransferase/N-acetylglucosamine-1-phosphate uridyltransferase 、 heparosan synthase-2 、 magnesium chloride 、 Cleland's reagent 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