Methanone, (4-((4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)- | 147046-22-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methanone, (4-((4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-
• 英文别名: [4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-(4-nitrophenyl)methanone
• CAS: 147046-22-8
• 化学式: C₂₅H₂₉NO₁₄
• 分子量: 567.504
• InChiKey: XBXXNMSJWVKCOG-TYIHRGRTSA-N

物化性质

• 沸点：
  881.6±65.0 °C(Predicted)
• 密度：
  1.65±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  241
• 氢给体数：
  7
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  2,2',3,3',4',6,6'-七-O-乙酰基-alpha-D-乳糖基溴化物 在 sodium methylate 、 silver(l) oxide 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 2.5h， 生成 Methanone, (4-((4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-
  参考文献：
  名称：

  Glycosylated derivatives of benzophenone, benzhydrol and benzhydril as potential venous antithrombotic agents

  摘要：

  A series of glycosylated derivatives of benzophenone, benzhydrol, and benzhydril has been synthesized and evaluated for potential activity as venous antithrombotic agents. Studies on structure-activity relationships revealed that compounds having an electron-withdrawing group in the benzhydril or benzhydrol moiety, and specifically those having the beta-D-xylopyranosyl structure in the sugar moiety, were good antithrombotic agents in a rat model of venous thrombosis.

  DOI：

  10.1021/jm00059a015