N-[(2S)-2,3-dihydroxypropyl]carbamoylguanidine | 1061735-23-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[(2S)-2,3-dihydroxypropyl]carbamoylguanidine
• 英文别名: 1-carbamimidoyl-3-[(2S)-2,3-dihydroxypropyl]urea
• CAS: 1061735-23-6
• 化学式: C₅H₁₂N₄O₃
• 分子量: 176.175
• InChiKey: WPWWGHQLFQQZHT-VKHMYHEASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  134
• 氢给体数：
  5
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-[(2S)-2,3-二羟基丙基]-5-氮杂胞嘧啶 在 聚甘氨酸 作用下， 以 重水 为溶剂， 生成 甲酸 、 N-[(2S)-2,3-dihydroxypropyl]carbamoylguanidine
  参考文献：
  名称：

  Study of chemical stability of antivirally active 5-azacytosine acyclic nucleoside phosphonates using NMR spectroscopy

  摘要：

  Hydrolytic decomposition of four 5-azacytosine acyclic nucleoside phosphonates was studied. Products of the decomposition are carbamoylguanidine derivatives. Stability and decomposition products of HPMP-5-azaC (a 5-azacytosine derivative with strong antiviral activity) differ from the other derivatives. The reaction pathway of HPMP-5-azaC involves a formyl derivative formed by intramolecular transformylation reaction. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.05.058

文献信息

• Study of chemical stability of antivirally active 5-azacytosine acyclic nucleoside phosphonates using NMR spectroscopy
  作者：Martin Dračínský、Marcela Krečmerová、Antonín Holý

  DOI：10.1016/j.bmc.2008.05.058

  日期：2008.7

  Hydrolytic decomposition of four 5-azacytosine acyclic nucleoside phosphonates was studied. Products of the decomposition are carbamoylguanidine derivatives. Stability and decomposition products of HPMP-5-azaC (a 5-azacytosine derivative with strong antiviral activity) differ from the other derivatives. The reaction pathway of HPMP-5-azaC involves a formyl derivative formed by intramolecular transformylation reaction. (c) 2008 Elsevier Ltd. All rights reserved.