(2R,3S,5R)-2-(((hydroxy(morpholino)phosphoryl)oxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl (((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl) hydrogen phosphate | 39598-33-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: (2R,3S,5R)-2-(((hydroxy(morpholino)phosphoryl)oxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl (((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl) hydrogen phosphate
• CAS: 39598-33-9
• 化学式: C₂₄H₃₅N₅O₁₅P₂
• 分子量: 695.514
• InChiKey: MRBAPGLCCWSZAM-VTYCOLDWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.41
• 重原子数：
  46.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  263.17
• 氢给体数：
  5.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  (2R,3S,5R)-2-(((hydroxy(morpholino)phosphoryl)oxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl (((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl) hydrogen phosphate 在 盐酸 作用下， 生成 thymidylyl-(5'->3')-[5']thymidylic acid
  参考文献：
  名称：

  Synthesis of 5′-phosphorylated DNA fragments

  摘要：

  DOI：

  10.1016/s0040-4039(01)90351-x
• 作为产物：
  描述：

  2,2,2-三溴乙基磷吗啉氯化物 、 [(2R,3S,5R)-2-[[(2-chlorophenoxy)-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate 生成 (2R,3S,5R)-2-(((hydroxy(morpholino)phosphoryl)oxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl (((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl) hydrogen phosphate
  参考文献：
  名称：

  Synthesis of 5′-phosphorylated DNA fragments

  摘要：

  DOI：

  10.1016/s0040-4039(01)90351-x