1,3-O-(2'-hydroxyethylidene)threitol | 188413-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 1,3-O-(2'-hydroxyethylidene)threitol
• 英文别名: 2,4-Bis(hydroxymethyl)-1,3-dioxan-5-ol
• CAS: 188413-92-5
• 化学式: C₆H₁₂O₅
• 分子量: 164.158
• InChiKey: URSUNAMNWZNBCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  79.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  α-D-GalpNAc-(1->4)-α-D-Quip3NAc-(1->3)-α-L-Rhap-(1->O-[1,3-O-(2'-hydroxyethylidene)threitol] 在 溶剂黄146 作用下， 反应 2.0h， 生成 1,3-O-(2'-hydroxyethylidene)threitol 、 3-acetamido-3,6-dideoxyglucitol 、 L-rhamnitol 、 2-乙酰氨基-2-脱氧-d-半乳糖醇
  参考文献：
  名称：

  Smith degradation of the O-antigenic polysaccharide of Salmonella Dakar: structural studies of the products

  摘要：

  Two different oligosaccharides were obtained from the Smith degradation of the O-polysaccharide isolated from the lipopolysaccharide of Salmonella Dakar. The structures of these oligosaccharides were investigated by chemical analysis, NMR spectroscopy and MALDI-TOF mass spectrometry. The following structures of these products were determined: alpha-D-Ga1pNAc-(1 -> -4)-alpha-D-Quip3NAc-(1 -> 3)-alpha-L-Rhap-(1 -> 2)-threitol and[GRAPHICS]where Quip3NAc is 3-acetamido-3,6-dideoxyglucose. The reaction products confirmed the structure of the repeating unit of the Salmonella Dakar O-polysaccharide reported previously [Kumirska, J.; Szafranck, J.; Czerwicka, M.; Paszkiewicz, M.; Dziadziuszko, H.; Kunikowska, D.; Stepnowski, P. Carbohydr. Res. 2007, 342, 2138-2143]. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2008.01.027