N1-(2-deoxy-β-D-erythro-pentofuranosyl)-O(5)-methylisodialuric acid | 1182709-30-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N1-(2-deoxy-β-D-erythro-pentofuranosyl)-O(5)-methylisodialuric acid
• 英文别名: 5,6-dihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-1,3-diazinane-2,4-dione
• CAS: 1182709-30-3
• 化学式: C₁₀H₁₆N₂O₈
• 分子量: 292.246
• InChiKey: PTNPOLWTQFRQMF-SKAWGCAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  149
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  甲醇 、 5-azido-2′-deoxyuridine 在 溶剂黄146 作用下， 生成 N1-(2-deoxy-β-D-erythro-pentofuranosyl)-O(5)-methylisodialuric acid
  参考文献：
  名称：

  Unraveling the Photochemistry of the 5-Azido-2′-deoxyuridine Photoaffinity Label

  摘要：

  UV irradiation of 5-azido-2'-deoxyuridine in water provides tip to seven products. All likely result from a pivotal azirene, formed by the intramolecular rearrangement of the initially formed nitrene, that undergoes nucleophilic addition at its C5 position. This study strongly suggests that only nucleophilic amino acid residues in close proximity are cross-linkable in photolabeling experiments by using the 5-azidouracil photophore.

  DOI：

  10.1021/jo901544a