O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-(1<*>3)-O-(2,4,6-tri-O-acetyl-β-D-mannopyranosyl)-(1<*>4)-O-(2-acetamido-3,6-di-O-acetyl-2-deoxy-β-D-glucopyranosyl)-(1<*>4)-2-acetamido-3,6-di-O-acetyl-2-deoxy-α-D-glucopyranosyl chloride | 71223-56-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-(1<*>3)-O-(2,4,6-tri-O-acetyl-β-D-mannopyranosyl)-(1<*>4)-O-(2-acetamido-3,6-di-O-acetyl-2-deoxy-β-D-glucopyranosyl)-(1<*>4)-2-acetamido-3,6-di-O-acetyl-2-deoxy-α-D-glucopyranosyl chloride
• CAS: 71223-56-8
• 化学式: C₅₀H₆₉ClN₂O₃₁
• 分子量: 1229.55
• InChiKey: RNUQFQQGJPVIBQ-LGBZSXCOSA-N

物化性质

• 沸点：
  1090.2±65.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.94
• 重原子数：
  84.0
• 可旋转键数：
  23.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  412.11
• 氢给体数：
  2.0
• 氢受体数：
  31.0

反应信息

• 作为反应物：
  描述：

  O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-(1<*>3)-O-(2,4,6-tri-O-acetyl-β-D-mannopyranosyl)-(1<*>4)-O-(2-acetamido-3,6-di-O-acetyl-2-deoxy-β-D-glucopyranosyl)-(1<*>4)-2-acetamido-3,6-di-O-acetyl-2-deoxy-α-D-glucopyranosyl chloride 在 四乙基氯化铵 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成 O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-(1<*>3)-O-(2,4,6-tri-O-acetyl-β-D-mannopyranosyl)-(1<*>4)-O-(2-acetamido-3,6-di-O-acetyl-2-deoxy-β-D-glucopyranosyl)-(1<*>4)-2-methyl-(2-acetamido-3,6-di-O-acetyl-2-deoxy-α-D-glucopyrano)-<2,1-d>-2-oxazo 、 (3aR)-2-甲基-5alpha-(乙酰氧基甲基)-6beta,7alpha-二乙酰氧基-3Aalpha,6,7,7Aalpha-四氢-5H-吡喃并[3,2-d]恶唑 、 O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-(1->3)-O-(2,4,6-tri-O-acetyl-β-D-mannopyranosyl)-(1->4)-2-methyl-3,6-di-O-acetyl-1,2-dideoxy-α-D-glucopyrano-<2,1-d>-2-oxazoline
  参考文献：
  名称：

  Oligosaccharide oxazolines: Preparation, and application to the synthesis of glycoprotein carbohydrate structures

  摘要：

  DOI：

  10.1016/s0008-6215(00)85984-4
• 作为产物：
  描述：

  O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-(1<*>3)-O-(2,4,6-tri-O-acetyl-β-D-mannopyranosyl)-(1<*>4)-O-(2-acetamido-3,6-di-O-acetyl-2-deoxy-β-D-glucopyranosyl)-(1<*>4)-2-acetamido-2-deoxy-α-D-glucopyranose 、 乙酰氯 在 盐酸 作用下， 反应 24.0h， 生成 O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-(1<*>3)-O-(2,4,6-tri-O-acetyl-β-D-mannopyranosyl)-(1<*>4)-O-(2-acetamido-3,6-di-O-acetyl-2-deoxy-β-D-glucopyranosyl)-(1<*>4)-2-acetamido-3,6-di-O-acetyl-2-deoxy-α-D-glucopyranosyl chloride
  参考文献：
  名称：

  Oligosaccharide oxazolines: Preparation, and application to the synthesis of glycoprotein carbohydrate structures

  摘要：

  DOI：

  10.1016/s0008-6215(00)85984-4