[(2R,3S,5R)-2-[[diethylamino-[(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] [(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate | 125237-70-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• 英文名称: [(2R,3S,5R)-2-[[diethylamino-[(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] [(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
• CAS: 125237-70-9
• 化学式: C₄₄H₆₂N₉O₂₅P₃
• 分子量: 1209.94
• InChiKey: JRIHMIDZJIBJIS-TYPOHWHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.22
• 重原子数：
  81.0
• 可旋转键数：
  23.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  447.11
• 氢给体数：
  8.0
• 氢受体数：
  27.0

反应信息

• 作为反应物：
  描述：

  [(2R,3S,5R)-2-[[diethylamino-[(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] [(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate 在 ammonium hydroxide 作用下， 生成 Tetra(thymidine phosphate)
  参考文献：
  名称：

  A simple preparation of 5′-o-dimethoxytrityl deoxyribonucleoside 3′-o-phosphorbisdiethylamidites as useful intermediates in the synthesis of oligodeoxyribonucleotides and their phosphorodiethylamidate analogs on a solid support

  摘要：

  DOI：

  10.1016/s0040-4020(01)81309-0
• 作为产物：
  描述：

  5'-O-dimethoxytrityl thymidine 3'-O-phosphorbisdiethylamidite 生成 [(2R,3S,5R)-2-[[diethylamino-[(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] [(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  参考文献：
  名称：

  YAMANA, KAZUSHIGE;NISHIJIMA, YOSHITAKA;OKA, ATSUSHI;NAKANO, HIDEHIKO;SANG+, TETRAHEDRON, 45,(1989) N3, C. 4135-4140

  摘要：

  DOI：