Acetic acid (4aR,7R,8R,8aS)-7-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester | 181711-39-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃二恶英
• 英文名称: Acetic acid (4aR,7R,8R,8aS)-7-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester
• CAS: 181711-39-7
• 化学式: C₁₉H₂₀N₂O₇
• 分子量: 388.377
• InChiKey: WKQQQEJIOBANKS-SNHPDKIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.52
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  108.85
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (4aR,7R,8R,8aS)-7-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester 在 氨 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 三乙胺 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and antiviral activity of 2-deoxy-1,5-anhydro-D-mannitol nucleosides containing a pyrimidine base moiety

  摘要：

  Nucleoside analogues containing a 2-deoxy-1,5-anhydro-D-mannitol and a pyrimidine base moiety were synthesized starting from D-glucose via a nucleophilic opening of an epoxide with the heterocyclic base and an inversion of configuration at the 3'-position. Study of the conformation of these molecules, that show some activity against herpesviruses (HSV, VZV, CMV) should increase our understanding of the structural requirements of hexitol nucleosides for antiviral activity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00244-2
• 作为产物：
  描述：

  methanesulfonic acid (4aR,7R,8S,8aR)-7-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester 在 sodium hydroxide 作用下， 以 吡啶 、 乙醇 、 水 为溶剂， 生成 Acetic acid (4aR,7R,8R,8aS)-7-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester
  参考文献：
  名称：

  Synthesis and antiviral activity of 2-deoxy-1,5-anhydro-D-mannitol nucleosides containing a pyrimidine base moiety

  摘要：

  Nucleoside analogues containing a 2-deoxy-1,5-anhydro-D-mannitol and a pyrimidine base moiety were synthesized starting from D-glucose via a nucleophilic opening of an epoxide with the heterocyclic base and an inversion of configuration at the 3'-position. Study of the conformation of these molecules, that show some activity against herpesviruses (HSV, VZV, CMV) should increase our understanding of the structural requirements of hexitol nucleosides for antiviral activity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00244-2