Methanone, (3-nitrophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)- | 83354-70-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methanone, (3-nitrophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-
• 英文别名: (3-nitrophenyl)-[4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methanone
• CAS: 83354-70-5
• 化学式: C₁₈H₁₇NO₈
• 分子量: 375.335
• InChiKey: ONHOLJPOJQJRQG-SPUZQDLCSA-N

物化性质

• 沸点：
  629.5±55.0 °C(Predicted)
• 密度：
  1.514±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methanone, (3-nitrophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)- 在 sodium tetrahydroborate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 生成 (2S,3R,4S,5R)-2-[4-[(3-硝基苯基)甲基]苯氧基]四氢吡喃-3,4,5-三醇
  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
• 作为产物：
  描述：

  2,3,4-三-O-乙酰基-α-D-木吡喃糖苷溴 在 sodium methylate 、 silver(l) oxide 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 2.5h， 生成 Methanone, (3-nitrophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-
  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