(2R,5S,6S)-2-[(2S,3S,5S)-3-[(2S,3S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(2S,3S,5R)-2-[(3S,5S,6R)-3,5-dihydroxy-2-methyl-6-propoxyoxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,5S,6S)-2-[(2S,3S,5S)-3-[(2S,3S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[(2S,3S,5R)-2-[(3S,5S,6R)-3,5-dihydroxy-2-methyl-6-propoxyoxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₃₄H₆₀O₂₂
• 分子量: 820.8
• InChiKey: FDJOKRXDCQVTQV-GCYXCUFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  56
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  335
• 氢给体数：
  12
• 氢受体数：
  22

文献信息

• GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X
  申请人：INSTITUT PASTEUR

  公开号：US20150050282A1

  公开（公告）日：2015-02-19

  The present invention relates to compounds derived from sugars which reproduce the epitopes of Shigella flexneri serotypes 3a and X and to the use thereof for the preparation of vaccine compositions. More specifically, the subject matter of the present invention relates to novel glycoconjugated compounds comprising oligosaccharides or polysaccharides described hereinafter, to the method for synthesizing these oligosaccharides or polysaccharides and glycoconjugates, to derivatives of these oligosaccharides or polysaccharides, to compositions containing same, and also to the use of the glycoconjugates for vaccination purposes. Finally, the present invention relates to methods for diagnosing a Shigella flexneri infection using one or more oligosaccharides or polysaccharides or conjugates thereof.

  本发明涉及从糖衍生物中复制Shigella flexneri 3a和X血清型表位的化合物，以及用于制备疫苗组分的使用方法。更具体地说，本发明的主题涉及新型糖连接化合物，包括下文描述的寡糖或多糖，以及合成这些寡糖或多糖和糖连接物的方法，这些寡糖或多糖的衍生物，含有它们的组合物，以及将糖连接物用于疫苗接种目的的用途。最后，本发明涉及使用一种或多种寡糖或多糖或其共轭物来诊断Shigella flexneri感染的方法。
• US8815239B2
  申请人：——

  公开号：US8815239B2

  公开（公告）日：2014-08-26