{O-(3,4,6-tri-O-acetyl-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-glucopyranosyl)-(1→2)-O-[(3,4,6-tri-O-acetyl-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-glucopyranosyl)-(1→4)]}-1,3,6-tri-O-acetyl-β-D-mannopyranose | 1492048-35-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: {O-(3,4,6-tri-O-acetyl-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-glucopyranosyl)-(1→2)-O-[(3,4,6-tri-O-acetyl-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-glucopyranosyl)-(1→4)]}-1,3,6-tri-O-acetyl-β-D-mannopyranose
• CAS: 1492048-35-7
• 化学式: C₄₂H₅₄Cl₆N₂O₂₇
• 分子量: 1231.61
• InChiKey: ACFISOSDJJJORR-XXOCYROYSA-N

物化性质

• 沸点：
  1005.5±65.0 °C(Predicted)
• 密度：
  1.53±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 重原子数：
  77.0
• 可旋转键数：
  20.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  359.51
• 氢给体数：
  2.0
• 氢受体数：
  27.0

反应信息

• 作为产物：
  描述：

  phenyl 3,6-di-O-allyl-1-thio-α-D-mannopyranoside 在 三氟甲磺酸三甲基硅酯 、 sodium acetate 、 溶剂黄146 、 palladium dichloride 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 21.0h， 生成 {O-(3,4,6-tri-O-acetyl-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-glucopyranosyl)-(1→2)-O-[(3,4,6-tri-O-acetyl-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-glucopyranosyl)-(1→4)]}-1,3,6-tri-O-acetyl-α-D-mannopyranose 、 {O-(3,4,6-tri-O-acetyl-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-glucopyranosyl)-(1→2)-O-[(3,4,6-tri-O-acetyl-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-glucopyranosyl)-(1→4)]}-1,3,6-tri-O-acetyl-β-D-mannopyranose
  参考文献：
  名称：

  A New Approach for the Synthesis of Hyperbranched N-Glycan Core Structures from Locust Bean Gum

  摘要：

  A novel protocol for the synthesis of general N-glycan core structures was established by means of Man beta(1 -> 4)Man peracetate derived from a naturally abundant locust bean gum as a key starting material. Phenyl (2-O-benzy1-4,6-O-benzylidine-beta-D-mannopyranosyl)-(1 -> 4)-3,6-di-O-benzyl-2-azido-2-deoxy-1-thio-beta-D-glucopyranoside facilitated the synthesis of key intermediates leading to hyperbranched N-glycan core structures.

  DOI：

  10.1021/ol403140h