β-Galp-(1->2)-α-GalpA-(1->2)-glycerol | 104542-74-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: β-Galp-(1->2)-α-GalpA-(1->2)-glycerol
• CAS: 104542-74-7
• 化学式: C₁₅H₂₆O₁₄
• 分子量: 430.363
• InChiKey: BMRYZTRTQDQBQJ-CAWGNNRPSA-N

物化性质

• 沸点：
  877.9±65.0 °C(predicted)
• 密度：
  1.77±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.93
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  236.06
• 氢给体数：
  9.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 β-Galp-(1->2)-α-GalpA-(1->2)-glycerol 生成 1,5-di-O-acetyl-2,3,4,6-tetra-O-methyl-D-galactitol 、 1,2,5,6-tetra-O-acetyl-3,4-di-O-methylgalactitol
  参考文献：
  名称：

  The structural elucidation of the capsular polysaccharide of Klebsiella K68

  摘要：

  The structure of the capsular polysaccharide isolated from Klebsiella K68 bacteria has been elucidated by both chemical and spectroscopic methods. The structure is of the "3 + 1" type, similar in pattern to the structures of the polysaccharides of Klebsiella K11 and K57, having a single branch point on the uronic acid. The polysaccharide is shown to consist of the following repeating unit: (Formula: see text).

  DOI：

  10.1016/s0008-6215(00)90305-7
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium tetrahydroborate 作用下， 反应 16.0h， 生成 β-Galp-(1->2)-α-GalpA-(1->2)-glycerol
  参考文献：
  名称：

  The structural elucidation of the capsular polysaccharide of Klebsiella K68

  摘要：

  The structure of the capsular polysaccharide isolated from Klebsiella K68 bacteria has been elucidated by both chemical and spectroscopic methods. The structure is of the "3 + 1" type, similar in pattern to the structures of the polysaccharides of Klebsiella K11 and K57, having a single branch point on the uronic acid. The polysaccharide is shown to consist of the following repeating unit: (Formula: see text).

  DOI：

  10.1016/s0008-6215(00)90305-7