| 497173-10-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 497173-10-1
• 化学式: C₆₃H₇₅F₃N₂O₁₆
• 分子量: 1173.29
• InChiKey: LCLVWSUWENCEEP-GZOPYVFSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.61
• 重原子数：
  84.0
• 可旋转键数：
  27.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  198.42
• 氢给体数：
  3.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 、 对甲苯磺酸 、 原乙酸三乙酯 、 三氟乙酸 作用下， 生成
  参考文献：
  名称：

  Synthesis of histo blood-group antigens A and B (type 2), xenoantigen Galα1-3Galβ1-4GlcNAc and related type 2 backbone oligosaccharides as haptens in spacered form

  摘要：

  The partial alpha-fucosylation of spacered (sp = CH2CH2CH2NH2) N-acetyl beta-lactosamine derivative having free hydroxy groups at C-3 and C-2' gives rise to oligosaccharides H (type 2), Le(x) and Le(y), the first one was further elongated giving rise to A (type 2) or B (type 2) tetrasaccharides; spacered trisaccharides Galalpha1-3Galbeta1-4GlcNAc and Galalpha1-4Galbeta1-4GlcNAc were synthesised by the partial alpha-galactosylation of N-acetyl beta-lactosamine derivative, having free hydroxy groups at C-4' and C-3'.

  DOI：

  10.1070/mc2002v012n04abeh001591
• 作为产物：
  描述：

  perbenzyl fucosyl bromide 、 N-{3-[(2R,3R,4R,5S,6R)-3-Acetylamino-6-benzyloxymethyl-5-((3aS,4R,6S,7R,7aR)-4-benzyloxymethyl-7-hydroxy-2,2-dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yloxy)-4-hydroxy-tetrahydro-pyran-2-yloxy]-propyl}-2,2,2-trifluoro-acetamide 在 二乙基异丙基胺 、 氢溴酸 作用下， 以43%的产率得到
  参考文献：
  名称：

  Synthesis of histo blood-group antigens A and B (type 2), xenoantigen Galα1-3Galβ1-4GlcNAc and related type 2 backbone oligosaccharides as haptens in spacered form

  摘要：

  The partial alpha-fucosylation of spacered (sp = CH2CH2CH2NH2) N-acetyl beta-lactosamine derivative having free hydroxy groups at C-3 and C-2' gives rise to oligosaccharides H (type 2), Le(x) and Le(y), the first one was further elongated giving rise to A (type 2) or B (type 2) tetrasaccharides; spacered trisaccharides Galalpha1-3Galbeta1-4GlcNAc and Galalpha1-4Galbeta1-4GlcNAc were synthesised by the partial alpha-galactosylation of N-acetyl beta-lactosamine derivative, having free hydroxy groups at C-4' and C-3'.

  DOI：

  10.1070/mc2002v012n04abeh001591