methyl (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxyoxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate | 110481-17-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxyoxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
• CAS: 110481-17-9
• 化学式: C₅₈H₇₈Cl₃N₃O₃₆
• 分子量: 1499.61
• InChiKey: DCFFLPHAFIMLRA-NIIARHGOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  100
• 可旋转键数：
  42
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  498
• 氢给体数：
  3
• 氢受体数：
  37

反应信息

• 作为反应物：
  描述：

  methyl (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxyoxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate 生成 methyl (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(E,2S,3R)-3-benzoyloxy-2-(tetracosanoylamino)octadec-4-enoxy]oxan-3-yl]oxyoxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
  参考文献：
  名称：

  OGAVA, TOMOYA;SUGIMOTO, MAMORU;NUMADA, MASAAKI;ITO, MASAESI;SITORI, JOSIY+

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-hydroxyoxan-3-yl]oxyoxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate 生成 methyl (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxyoxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
  参考文献：
  名称：

  OGAVA, TOMOYA;SUGIMOTO, MAMORU;NUMADA, MASAAKI;ITO, MASAESI;SITORI, JOSIY+

  摘要：

  DOI：

文献信息

• Total synthesis of gangliosides GM1 and GM2
  作者：Mamoru Sugimoto、Masaaki Numata、Katsuya Koike、Yoshiaki Nakahara、Tomoya Ogawa

  DOI：10.1016/s0008-6215(00)90125-3

  日期：1986.11