[2,4,5-Trihydroxy-6-(sulfooxymethyl)tetrahydropyran-3-yl]sulfamic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2,4,5-Trihydroxy-6-(sulfooxymethyl)tetrahydropyran-3-yl]sulfamic acid
• 英文别名: [2,4,5-trihydroxy-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid
• 化学式: C₆H₁₃NO₁₁S₂
• 分子量: 339.3
• InChiKey: DQTRACMFIGDHSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  217
• 氢给体数：
  6
• 氢受体数：
  12

文献信息

• [EN] ANALYTIC METHODS FOR THE DETERMINATION OF POLYSACCHARIDES, ESPECIALLY GLYCOSAMINOGLYCANS<br/>[FR] MÉTHODE ANALYTIQUE POUR LA DÉTERMINATION DE POLYSACCHARIDES, NOTAMMENT DE GLYCOSAMINOGLYCANES
  申请人：CHEMI SPA

  公开号：WO2015071335A1

  公开（公告）日：2015-05-21

  An analytical method for the structural determination of polysaccharides, especially glycosaminoglycans (GAGs) such as heparin (RN=9005-49-6) is described which comprises the use of a mass spectrometer optionally coupled with a chromatographic or electrophoretic system. In a preferred embodiment, reverse phase ion pair HPLC is used to separate an enzyme digest of the polysaccharide and the fractions are analysed via ESI-QTOF mass spectrometry. In particular, a highly charged precursor ion (PI), which is resistant to S03 loss, is selected and subjected to collisional dissociation (CID), whereby the structure can be identified by the presence of characteristic fragment peaks at m/z 137.99, 138.97, 168.49, 157.01, 189.49... 369.10 etc. Applications include quality control of pharmaceutical products.