1-((2R,4S,5R)-4-Hydroxy-5-hydroxyaminomethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione | 603990-52-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 2 '，5'-二脱氧核苷
• 英文名称: 1-((2R,4S,5R)-4-Hydroxy-5-hydroxyaminomethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
• 英文别名: 1-[(2R,4S,5R)-4-hydroxy-5-[(hydroxyamino)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• CAS: 603990-52-9
• 化学式: C₁₀H₁₅N₃O₅
• 分子量: 257.246
• InChiKey: KJZXNIIPIXYYJA-XLPZGREQSA-N

物化性质

• 密度：
  1.464±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  111
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-((2R,4S,5R)-4-Hydroxy-5-hydroxyaminomethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione 、 [(2S,3R,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl]-acetaldehyde 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 0.25h， 生成
  参考文献：
  名称：

  Synthesis of dinucleotides containing nitrone, hydroxylamine and amidoxime linkages

  摘要：

  new thymidine dinucleotides with nitrone, hydroxylamine and amidoxime backbone linkages, suitable for incorporation into oligonucleotide chains, were easily synthesized, by coupling of readily available thymidine monomers and applying short, simple and efficient procedures. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01355-8
• 作为产物：
  描述：

  (2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-carbaldehyde oxime 生成 1-((2R,4S,5R)-4-Hydroxy-5-hydroxyaminomethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
  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