[hydroxy(phosphonooxy)phosphoryl]oxy-[[(Z)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enoxy]methyl]phosphinic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [hydroxy(phosphonooxy)phosphoryl]oxy-[[(Z)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enoxy]methyl]phosphinic acid
• 英文别名: [hydroxy(phosphonooxy)phosphoryl]oxy-[[(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoxy]methyl]phosphinic acid
• 化学式: C₁₀H₁₇N₂O₁₂P₃
• 分子量: 450.172
• InChiKey: XRUDEZPOPSBBJC-IHWYPQMZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.2
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  209
• 氢给体数：
  5
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  [(Z)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enoxy]methylphosphonic acid 在 焦磷酸 作用下， 生成 [hydroxy(phosphonooxy)phosphoryl]oxy-[[(Z)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enoxy]methyl]phosphinic acid
  参考文献：
  名称：

  Novel Open-Chain Nucleotides Imitating 2',3'-Dideoxy-2',3'-Didehydronucleotides: Synthesis and Substrate Properties Toward DNA Polymerases

  摘要：

  A new series of acyclic nucleotide diphosphates was synthesized and evaluated as potential inhibitors of HIV reverse transcriptases.

  DOI：

  10.1080/15257779508012464

文献信息

• Novel Open-Chain Nucleotides Imitating 2',3'-Dideoxy-2',3'-Didehydronucleotides: Synthesis and Substrate Properties Toward DNA Polymerases
  作者：E. A. Shirokova、N. B. Tarussova、A. V. Shipitsin、D. G. Semizarov、M. Hieber、A. A. Krayevsky

  DOI：10.1080/15257779508012464

  日期：1995.5.1

  A new series of acyclic nucleotide diphosphates was synthesized and evaluated as potential inhibitors of HIV reverse transcriptases.