1,3,4-tri-O-acetyl-2,5,6-tri-O-methylgalactitol | 65877-58-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,3,4-tri-O-acetyl-2,5,6-tri-O-methylgalactitol
• CAS: 65877-58-9
• 化学式: C₁₅H₂₆O₉
• 分子量: 350.366
• InChiKey: RNRBPTSSFDVKOX-CBBWQLFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.09
• 重原子数：
  24.0
• 可旋转键数：
  11.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  106.59
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  乙酸酐 、 GalpA-(1->2)-Manp-(1->3)-Gal 生成 1,2,5-tri-O-acetyl-3,4,6-tri-O-methyl-D-mannitol 、 1,5,6-tri-O-acetyl-2,3,4-tri-O-methyl-D-galactitol 、 1,3,5-tri-O-acetyl-2,4,6-tri-O-methylgalactitol 、 1,3,4-tri-O-acetyl-2,5,6-tri-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

文献信息

• A facile method for the synthesis of partially O-methylated alditol acetate standards for GC–MS analysis of galactofuranose-containing structures
  作者：Jian-yu He、Yu-na Guo、Ling-ling Zhang、Lin-hong Huang

  DOI：10.1016/j.carres.2013.06.005

  日期：2013.9

  Mixtures of partially O-methylated alditol acetate standards of galactofuranose were synthesized rapidly. Methyl galactofuranosides were obtained with a yield of 79.9% within 4h under optimized reaction conditions. Methylation of methyl glycosides was carried out in the presence of BaO/Ba(OH)2·8H2O, giving rise to mixtures of partially methylated glycosides. The batch containing the most diverse structures

  快速合成了半乳糖呋喃糖的部分O-甲基化糖醇乙酸酯标准品的混合物。在优化的反应条件下，在4h内获得甲基半乳糖呋喃糖苷的收率为79.9％。在BaO / Ba（OH）2·8H2O的存在下进行甲基糖苷的甲基化，生成部分甲基化糖苷的混合物。将包含最多样化甲基醚结构的批料转化为部分O-甲基化的糖醇乙酸酯（PMAAs），然后进行GC-MS分析。这些PMAA可用作GC-MS标准品，用于同时鉴定在复杂碳水化合物中具有不同键的半乳糖呋喃糖单元。