| 182865-90-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 182865-90-3
• 化学式: C₆₂H₇₉NO₂₁Si
• 分子量: 1202.39
• InChiKey: REPKTNDEGFHXPW-VLNHNNLASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.28
• 重原子数：
  85.0
• 可旋转键数：
  27.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  252.9
• 氢给体数：
  1.0
• 氢受体数：
  21.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 吡啶 、 4-二甲氨基吡啶 、 tin(II) trifluoromethanesulfonate 、 1,1-二氯甲醚 、 甲酸铵 、 sodium methylate 、 1,1,3,3-四甲基脲 、 zinc(II) chloride 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 N-[(2R,3R,4R,5S,6R)-2-Ethoxy-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-4-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl]-acetamide
  参考文献：
  名称：

  Stereoselective synthesis of lewis-associated trisaccharides as E-selectin inhibitors

  摘要：

  Three types of Lewis-associated trisaccharides [the Le(a) analogs, their epimers with respect to the fucose residue (the 1c-epi-Le(a) analogs), and the Le(X) analogs] were synthesized in a stereoselective manner. Not only the Le(a) analogs but also the 1c-epi-Le(a) analogs inhibited E-selectin-mediated neutrophil accumulation into pleural cavity in lipoteichoic acid-treated mice, with the trend being Le(a) > 1c-epi-Le(a) > Le(X). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00370-8
• 作为产物：
  描述：

  Acetic acid (2S,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[(2R,3S,4R,5R,6R)-2-acetoxymethyl-5-amino-4-hydroxy-6-(2-trimethylsilanyl-ethoxy)-tetrahydro-pyran-3-yloxy]-tetrahydro-pyran-3-yl ester 在 silver perchlorate 、 碳酸氢钠 、 1,1,3,3-四甲基脲 、 tin(ll) chloride 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成
  参考文献：
  名称：

  Stereoselective synthesis of lewis-associated trisaccharides as E-selectin inhibitors

  摘要：

  Three types of Lewis-associated trisaccharides [the Le(a) analogs, their epimers with respect to the fucose residue (the 1c-epi-Le(a) analogs), and the Le(X) analogs] were synthesized in a stereoselective manner. Not only the Le(a) analogs but also the 1c-epi-Le(a) analogs inhibited E-selectin-mediated neutrophil accumulation into pleural cavity in lipoteichoic acid-treated mice, with the trend being Le(a) > 1c-epi-Le(a) > Le(X). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00370-8