[(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[6-(propanoylamino)hexoxy]-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate | 1228176-46-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[6-(propanoylamino)hexoxy]-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
• CAS: 1228176-46-2
• 化学式: C₄₅H₆₉N₃O₂₃
• 分子量: 1020.05
• InChiKey: JKXQZVBNKLPWPU-AJAAEKMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  71
• 可旋转键数：
  31
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  327
• 氢给体数：
  3
• 氢受体数：
  23

反应信息

• 作为产物：
  描述：

  在 1% Pd/C 、 氢气 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以98%的产率得到[(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[6-(propanoylamino)hexoxy]-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
  参考文献：
  名称：

  Synthetic construction of a fucosyl chitobiose as an allergen-associated carbohydrate epitope and the glycopolymer involving highly clustered trisaccharidic sequences

  摘要：

  Synthetic construction of fucosyl chitobiose [GlcNAc beta 1 -> 4(Fuc alpha 1 -> 3)GlcNAc] as an allergy-associated carbohydrate epitope was accomplished from three building blocks. The trisaccharidic unit was further transformed into a carbohydrate monomer and polymerization of the glycomonomer proceeded smoothly to provide a series of glycopolymers having various carbohydrate densities. In addition to the organic syntheses, biological evaluations of the glycomonomer and the polymers were carried out and sugar-clustering effects were observed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.03.004