[(2S,3R,4S,5S,6S)-5-acetamido-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5R,6S)-3-acetamido-5-hydroxy-2-methyl-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] dihydrogen phosphate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S,3R,4S,5S,6S)-5-acetamido-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5R,6S)-3-acetamido-5-hydroxy-2-methyl-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] dihydrogen phosphate
• 化学式: C₃₀H₅₄N₃O₂₂P
• 分子量: 839.739
• InChiKey: YTZJFUFWQMAOJM-IYURTFTDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.5
• 重原子数：
  56
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  392
• 氢给体数：
  14
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  在 sodium tetrahydroborate 、 溶剂黄146 作用下， 生成 [(2S,3R,4S,5S,6S)-5-acetamido-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5R,6S)-3-acetamido-5-hydroxy-2-methyl-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] dihydrogen phosphate
  参考文献：
  名称：

  Structure of a phosphorylated polysaccharide from Shewanella putrefaciens strain S29

  摘要：

  A phosphorylated polysaccharide was isolated from the aqueous layer of the phenol-water extract of a non-halophilic bacterium Shewanella putrefaciens strain S29. The glycosyl phosphate linkage in the polysaccharide was split under mild acid conditions to give, after borohydride reduction, a phosphorylated oligosaccharide-alditol. On the basis of sugar analysis and H-1, C-13 and P-31 NMR spectroscopy, including 2D COSY, relayed COSY, rotating-frame NOE spectroscopy (ROESY), heteronuclear C-13, H-1 COSY, and H-detected heteronuclear H-1, P-31 multiple-quantum coherence (HMQC), it was concluded that the polysaccharide is built up of tetrasaccharide-phosphate repeating units having the following structure:[GRAPHICS]where QuiNAc and Qui4NAc are 2-acetamido-2,6-dideoxyglucose and 4-acetamido-4,6-dideoxyglucose, respectively. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0008-6215(97)00165-1