[(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-acetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-azidooctadec-4-en-3-yl] benzoate | 121732-77-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子
• 英文名称: [(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-acetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-azidooctadec-4-en-3-yl] benzoate
• CAS: 121732-77-2
• 化学式: C₇₅H₁₀₆N₄O₃₅
• 分子量: 1623.67
• InChiKey: KDSCYEGLAYFNMT-DHLIXEBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  114
• 可旋转键数：
  56
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  459
• 氢给体数：
  1
• 氢受体数：
  37

反应信息

• 作为反应物：
  描述：

  [(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-acetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-azidooctadec-4-en-3-yl] benzoate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以32.3 mg的产率得到(2S,3R,4E)-2-azido-1-<(β-D-galactopyranosyl)-(1-->4)-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-(1-->3)-(β-D-galactopyranosyl)-(1-->4)-β-D-glucopyranosyloxy>-4-octadecen-3-ol
  参考文献：
  名称：

  Bommer, Rene; Schmidt, Richard R., Liebigs Annalen der Chemie, 1989, p. 1107 - 1112

  摘要：

  DOI：
• 作为产物：
  描述：

  (2S,3R,4E)-2-azido-3-benzoyloxy-4-octadecen-1-ol 、 O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1->4)-(2-acetamido-4,6-di-O-acetyl-2-deoxy-β-D-glucopyranosyl)-(1->3)-(2,4,6-tri-O-acetyl-β-D-galactopyranosyl)-(1->4)-2,3,6-tri-O-acetyl-D-glucopyranosyl trichloroacetimidate 在 molecular sieve 、 三氟化硼乙醚 作用下， 生成 [(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-acetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-azidooctadec-4-en-3-yl] benzoate
  参考文献：
  名称：

  Bommer, Rene; Schmidt, Richard R., Liebigs Annalen der Chemie, 1989, p. 1107 - 1112

  摘要：

  DOI：

文献信息

• BOMMER, RENE;SCHMIDT, RICHARD R., LIEBIGS ANN. CHEM.,(1989) N1, C. 1107-1111
  作者：BOMMER, RENE、SCHMIDT, RICHARD R.

  DOI：——

  日期：——