N-[1-((3aR,4R,6R,6aR)-2-Hydroxy-6-hydroxymethyl-2-thioxo-tetrahydro-2λ5-furo[3,4-d][1,3,2]dioxaphosphol-4-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-succinamic acid; compound with triethyl-amine | 128796-50-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[1-((3aR,4R,6R,6aR)-2-Hydroxy-6-hydroxymethyl-2-thioxo-tetrahydro-2λ5-furo[3,4-d][1,3,2]dioxaphosphol-4-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-succinamic acid; compound with triethyl-amine
• 英文别名: N-[1-((3aR,4R,6R,6aR)-2-Hydroxy-6-hydroxymethyl-2-thioxo-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-succinamic acid; compound with triethyl-amine
• CAS: 128796-50-9
• 化学式: 2C₆H₁₅N*C₁₃H₁₆N₃O₉PS
• 分子量: 623.708
• InChiKey: PWONWPKVNWPQCB-BEUTWFNHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.29
• 重原子数：
  34.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  172.68
• 氢给体数：
  4.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  丁二酸酐 、 4-Amino-1-((3aR,4R,6R,6aR)-2-hydroxy-6-hydroxymethyl-2-thioxo-tetrahydro-2λ5-furo[3,4-d][1,3,2]dioxaphosphol-4-yl)-1H-pyrimidin-2-one; compound with triethyl-amine 在 吡啶 作用下， 生成 Succinic acid mono-[(3aR,4R,6R,6aR)-6-(4-amino-2-oxo-2H-pyrimidin-1-yl)-2-hydroxy-2-thioxo-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-ylmethyl] ester; compound with triethyl-amine 、 N-[1-((3aR,4R,6R,6aR)-2-Hydroxy-6-hydroxymethyl-2-thioxo-tetrahydro-2λ5-furo[3,4-d][1,3,2]dioxaphosphol-4-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-succinamic acid; compound with triethyl-amine
  参考文献：
  名称：

  Il, Kim Dong; Koenig, Joachim; Cech, Dieter, Zeitschrift fur Chemie, 1990, vol. 30, # 1, p. 24

  摘要：

  DOI：