| 1587693-37-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1587693-37-5
• 化学式: C₂₅H₄₃NO₁₈S
• 分子量: 677.678
• InChiKey: RJVCBCNHWLWNJE-RSTSUSBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.46
• 重原子数：
  45.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  314.85
• 氢给体数：
  12.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 、 甲醇 、 sodium methylate 作用下， 反应 12.0h， 生成 Neu5Acα2–3Galβ1–3GalβSEt1,4-lactone
  参考文献：
  名称：

  Regioselective Chemoenzymatic Synthesis of Ganglioside Disialyl Tetrasaccharide Epitopes

  摘要：

  A novel chemoenzymatic approach for the synthesis of disialyl tetrasaccharide epitopes found as the terminal oligosaccharides of GD1 alpha, GT1a alpha, and GQ1b alpha is described. It relies on chemical manipulation of enzymatically generated trisaccharides as conformationally constrained acceptors for regioselective enzymatic alpha 2-6-sialylation. This strategy provides a new route for easy access to disialyl tetrasaccharide epitopes and their derivatives.

  DOI：

  10.1021/ja5000609
• 作为产物：
  描述：

  在 甲醇 、 sodium methylate 作用下， 以50%的产率得到Neu5Acα2–3Galβ1–3GalβSEt1,4-lactone
  参考文献：
  名称：

  Regioselective Chemoenzymatic Synthesis of Ganglioside Disialyl Tetrasaccharide Epitopes

  摘要：

  A novel chemoenzymatic approach for the synthesis of disialyl tetrasaccharide epitopes found as the terminal oligosaccharides of GD1 alpha, GT1a alpha, and GQ1b alpha is described. It relies on chemical manipulation of enzymatically generated trisaccharides as conformationally constrained acceptors for regioselective enzymatic alpha 2-6-sialylation. This strategy provides a new route for easy access to disialyl tetrasaccharide epitopes and their derivatives.

  DOI：

  10.1021/ja5000609