Acetic acid (2R,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(5-methylsulfanyl-1,1,3-trioxo-3,4-dihydro-1H-1λ⁶-[1,2,4,6]thiatriazin-2-yl)-tetrahydro-pyran-3-yl ester

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Acetic acid (2R,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(5-methylsulfanyl-1,1,3-trioxo-3,4-dihydro-1H-1λ⁶-[1,2,4,6]thiatriazin-2-yl)-tetrahydro-pyran-3-yl ester
• 英文别名: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(5-methylsulfanyl-1,1,3-trioxo-4H-1,2,4,6-thiatriazin-2-yl)tetrahydropyran-2-yl]methyl acetate；[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-methylsulfanyl-1,1,3-trioxo-4H-1,2,4,6-thiatriazin-2-yl)oxan-2-yl]methyl acetate
• 化学式: C₁₇H₂₃N₃O₁₂S₂
• 分子量: 525.515
• InChiKey: ATYKISCYEAURKJ-UXXRCYHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  227
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  Acetic acid (2R,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(5-methylsulfanyl-1,1,3-trioxo-3,4-dihydro-1H-1λ⁶-[1,2,4,6]thiatriazin-2-yl)-tetrahydro-pyran-3-yl ester 在 甲醇 、 氨 作用下， 反应 4.0h， 以86%的产率得到5-Methylsulfanyl-1,1-dioxo-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-1,4-dihydro-2H-1λ⁶-[1,2,4,6]thiatriazin-3-one
  参考文献：
  名称：

  Synthesis and Anti-HIV Properties of 1,2,4,6-Thiatriazin-3-one 1,1-Dioxtoe Nucleosides

  摘要：

  Synthesis of 1,2,4,6-thiatriazine 1,l-dioxide nucleosides is now reported for the first time. In order to know the conformation of the nucleosides, a NMR study has been carried out. Anti-HIV-1 and HIV-8 properties of the nucleosides have been tested. These compounds have not shown activity at subtoxic concentrations.

  DOI：

  10.1080/07328319808003462
• 作为产物：
  描述：

  5-Methylsulfanyl-1,1-dioxo-1,4-dihydro-2H-1λ⁶-[1,2,4,6]thiatriazin-3-one 、 β-D-葡萄糖五乙酸酯 在 N,O-双三甲硅基乙酰胺 、 三氟甲磺酸三甲基硅酯 作用下， 生成 1-acetamido-2,3,4,6-tetraacetyl-1-deoxy-β-D-glucopyranose 、 Acetic acid (2R,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(5-methylsulfanyl-1,1,3-trioxo-3,4-dihydro-1H-1λ⁶-[1,2,4,6]thiatriazin-2-yl)-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Synthesis and Anti-HIV Properties of 1,2,4,6-Thiatriazin-3-one 1,1-Dioxtoe Nucleosides

  摘要：

  Synthesis of 1,2,4,6-thiatriazine 1,l-dioxide nucleosides is now reported for the first time. In order to know the conformation of the nucleosides, a NMR study has been carried out. Anti-HIV-1 and HIV-8 properties of the nucleosides have been tested. These compounds have not shown activity at subtoxic concentrations.

  DOI：

  10.1080/07328319808003462