1-hydroxy-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-1-methyl-urea

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 1-hydroxy-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-1-methyl-urea
• 英文别名: 1-hydroxy-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-1-methylurea
• 化学式: C₁₂H₁₈N₄O₆
• 分子量: 314.298
• InChiKey: KFCKBSIUDZKUGZ-DJLDLDEBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3'-氨基-2',3'-双脱氧胸苷 、 N,N'-羰基二咪唑 、 O-(tert-butyldimethylsilyl)-N-methylhydroxylamine 生成 1-hydroxy-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-1-methyl-urea
  参考文献：
  名称：

  Novel Types of Spin Labelled Nucleoside Analogues

  摘要：

  A variety of modified nucleosides or dinucleosides bearing one of the following functions have been prepared: N-hydroxyureas, N-hydroxyamines, N-hydroxycarbamates, alpha-(N-hydroxyamino)phosphonates. Upon oxidation, these compounds afford the corresponding aminoxyl free radicals which have been studied by EPR spectroscopy. Some of these compounds exhibited antiviral properties.

  DOI：

  10.1080/15257779908041528