| 1185549-32-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1185549-32-9
• 化学式: C₆H₁₀O₈
• 分子量: 211.13
• InChiKey: DSLZVSRJTYRBFB-NHMGCPRASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  14.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  155.52
• 氢给体数：
  6.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  D-[2-13C]glucose 在 sodium hydroxide 、 硫酸 、 臭氧 作用下， 以 水 为溶剂， 生成 2,3,4-三羟基丁酸 、 、 、 arabinonic acid-1-¹³C 、 、 、 、 、 、 D-阿拉伯糖-1-13C
  参考文献：
  名称：

  Reaction pathways of glucose oxidation by ozone under acidic conditions

  摘要：

  The ozonation Of D-glucose-1-C-13, 2-C-13, and 6-C-13 was carried out at pH 2.5 in a semi-batch reactor at room temperature. The products present in the liquid phase were analyzed by GC-MS, HPAEC-PAD, and C-13 NMR spectroscopy. Common oxidation products of glucose have also been submitted to identical ozonation conditions. For the first time, a pentaric acid was identified and its formation quantitatively correlated to the loss of C-6 of glucose in the form of carbon dioxide. Potential mechanisms for the formation of this pentaric acid are discussed. The well-accepted pathway involving the anomeric position in glucose, gluconic acid, arabinose, and carbon dioxide is reinvestigated. The origin of small molecules such as tartaric, erythronic, and oxalic acids is clarified. Finally, new reaction pathways and tentative mechanisms consistent with the formation of ketoaldonic acids and smaller acids are proposed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2009.05.012