2-[3,5-bis(4-pyridyl)phenoxy]ethyl 2,3,6-tri-O-acetyl-4-O-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-α-D-glucopyranosyl]-β-D-glucopyranoside | 935877-23-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-[3,5-bis(4-pyridyl)phenoxy]ethyl 2,3,6-tri-O-acetyl-4-O-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-α-D-glucopyranosyl]-β-D-glucopyranoside
• CAS: 935877-23-9
• 化学式: C₅₆H₆₆N₂O₂₇
• 分子量: 1199.14
• InChiKey: CPMCKNVOSNVPGI-AMZIOAFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  85.0
• 可旋转键数：
  24.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  353.39
• 氢给体数：
  0.0
• 氢受体数：
  29.0

反应信息

• 作为反应物：
  描述：

  2-[3,5-bis(4-pyridyl)phenoxy]ethyl 2,3,6-tri-O-acetyl-4-O-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-α-D-glucopyranosyl]-β-D-glucopyranoside 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以81%的产率得到2-(3,5-bis(4-pyridyl)phenoxy)ethyl 4-O-[4-O-(α-D-glucopyranosyl)-α-D-glucopyranosyl]-β-D-glucopyranoside
  参考文献：
  名称：

  Saccharide-Coated M₁₂L₂₄ Molecular Spheres That Form Aggregates by Multi-interaction with Proteins

  摘要：

  The self-assembly of saccharide-coated nanometer-sized molecular spheres is reported, where 24 (oligo)saccharides are precisely arrayed at the periphery of the spherical core. When combined with lectins, they form aggregates because of the cluster effect of the saccharides on the spheres.

  DOI：

  10.1021/ja0693082
• 作为产物：
  描述：

  β-D-maltotriose undecaacetate 在 四(三苯基膦)钯 potassium phosphate 、 三氟化硼乙醚 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 60.0h， 生成 2-[3,5-bis(4-pyridyl)phenoxy]ethyl 2,3,6-tri-O-acetyl-4-O-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-α-D-glucopyranosyl]-β-D-glucopyranoside
  参考文献：
  名称：

  Saccharide-Coated M₁₂L₂₄ Molecular Spheres That Form Aggregates by Multi-interaction with Proteins

  摘要：

  The self-assembly of saccharide-coated nanometer-sized molecular spheres is reported, where 24 (oligo)saccharides are precisely arrayed at the periphery of the spherical core. When combined with lectins, they form aggregates because of the cluster effect of the saccharides on the spheres.

  DOI：

  10.1021/ja0693082