(4-(beta-D-吡喃葡萄糖基氧基)苯基)(4-硝基苯基)甲酮水合物 | 83354-86-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (4-(beta-D-吡喃葡萄糖基氧基)苯基)(4-硝基苯基)甲酮水合物
• 英文名称: (4-Nitro-phenyl)-[4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-methanone
• 英文别名: Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate；(4-nitrophenyl)-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
• CAS: 83354-86-3
• 化学式: C₁₉H₁₉NO₉
• 分子量: 405.361
• InChiKey: XDTVKCFMTFAIDV-IQZDNPOKSA-N

物化性质

• 沸点：
  691.2±55.0 °C(Predicted)
• 密度：
  1.521±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  162
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[4-(4-nitro-benzoyl)-phenoxy]-tetrahydro-pyran-3-yl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 (4-(beta-D-吡喃葡萄糖基氧基)苯基)(4-硝基苯基)甲酮水合物
  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

文献信息

• Glycosylated derivatives of benzophenone, benzhydrol and benzhydril as potential venous antithrombotic agents
  作者：Francois Bellamy、Derek Horton、Jean Millet、Francois Picart、Soth Samreth、Jean Bernard Chazan

  DOI：10.1021/jm00059a015

  日期：1993.4

  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.