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 | 156549-41-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 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
• CAS: 156549-41-6
• 化学式: C₃₉H₅₁NO₂₁
• 分子量: 869.828
• InChiKey: VIRKREGODGQVBC-PZNNLYDWSA-N

物化性质

• 沸点：
  837.6±65.0 °C(predicted)
• 密度：
  1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  61
• 可旋转键数：
  26
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  276
• 氢给体数：
  1
• 氢受体数：
  21

反应信息

• 作为反应物：
  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 作用下， 以 甲醇 为溶剂， 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：

  D-葡萄糖 在 4 A molecular sieve 、 DMTST 作用下， 以 乙腈 为溶剂， 生成 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
  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