| 144260-99-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 144260-99-1；144261-00-7
• 化学式: C₉₆H₁₀₀O₁₇
• 分子量: 1525.84
• InChiKey: NNZYKENESRTVOS-LVJSJIQRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.26
• 重原子数：
  113.0
• 可旋转键数：
  41.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  167.91
• 氢给体数：
  1.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 44.0h， 以99.2%的产率得到(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
  参考文献：
  名称：

  The synthesis and characterisation of 2-O-(6-O-l-glycero-α,β-d-manno-heptopyranosyl-α-d-glycopyranosyl)- α,β-d-glucopyranose

  摘要：

  The title compounds were synthesised, and appropriate derivatives were characterised by GLC, GLC-MS, and NMR spectroscopy. The GLC and GLC-MS data proved 2-O-(6-O-L-glycero-alpha-D-manno-heptopyranosyl-alpha-D-glucopyranosyl)-D-glucopyranose to be a constituent of the outer-core region of the lipopolysaccharide from Escherichia coli K-12, indicating the heptosyl residue to be linked to the terminal glucopyranose residue.

  DOI：

  10.1016/s0008-6215(00)90992-3
• 作为产物：
  描述：

  在 palladium on activated charcoal 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 66.0h， 以64%的产率得到
  参考文献：
  名称：

  The synthesis and characterisation of 2-O-(6-O-l-glycero-α,β-d-manno-heptopyranosyl-α-d-glycopyranosyl)- α,β-d-glucopyranose

  摘要：

  The title compounds were synthesised, and appropriate derivatives were characterised by GLC, GLC-MS, and NMR spectroscopy. The GLC and GLC-MS data proved 2-O-(6-O-L-glycero-alpha-D-manno-heptopyranosyl-alpha-D-glucopyranosyl)-D-glucopyranose to be a constituent of the outer-core region of the lipopolysaccharide from Escherichia coli K-12, indicating the heptosyl residue to be linked to the terminal glucopyranose residue.

  DOI：

  10.1016/s0008-6215(00)90992-3