Neu(a2-6)Glc(b)-O-Bn | 156580-69-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Neu(a2-6)Glc(b)-O-Bn
• 英文别名: (2R,4S,5R,6R)-5-amino-4-hydroxy-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• CAS: 156580-69-7
• 化学式: C₂₂H₃₃NO₁₃
• 分子量: 519.503
• InChiKey: KQXVXWLDKCENQJ-KKWQASKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.1
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  242
• 氢给体数：
  9
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  Neu(a2-6)Glc(b)-O-Bn 生成
  参考文献：
  名称：

  Synthesis of ganglioside M5 from sea urchin egg

  摘要：

  A main component of ganglioside M5 from egg of the sea urchin, Anthocidaris crassispina, Neu5Gc alpha 2-->6Glc beta 1-->1Cer (1), which has N-glycolyl group in neuraminic acid part, as well as phytosphingosine and saturated nonhydroxy fatty acid in ceramide part was first synthesized starting from N-acetylneuraminic acid.

  DOI：

  10.1016/s0040-4039(00)77010-9
• 作为产物：
  描述：

  methyl (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxyoxan-2-yl]methoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate 在 sodium hydroxide 、 sodium methylate 、 肼 作用下， 以 甲醇 为溶剂， 生成 Neu(a2-6)Glc(b)-O-Bn
  参考文献：
  名称：

  Synthesis of ganglioside M5 from sea urchin egg

  摘要：

  A main component of ganglioside M5 from egg of the sea urchin, Anthocidaris crassispina, Neu5Gc alpha 2-->6Glc beta 1-->1Cer (1), which has N-glycolyl group in neuraminic acid part, as well as phytosphingosine and saturated nonhydroxy fatty acid in ceramide part was first synthesized starting from N-acetylneuraminic acid.

  DOI：

  10.1016/s0040-4039(00)77010-9