[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl]oxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxymethyl]-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl] (2,5-dichlorophenyl) 2-(4-nitrophenyl)ethyl phosphate | 85372-14-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl]oxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxymethyl]-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl] (2,5-dichlorophenyl) 2-(4-nitrophenyl)ethyl phosphate
• CAS: 85372-14-1
• 化学式: C₇₄H₈₄Cl₂N₁₀O₂₀P₂Si₂
• 分子量: 1622.56
• InChiKey: JNICMHGJLLQTGT-SGDZJCJFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.57
• 重原子数：
  110
• 可旋转键数：
  32
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  355
• 氢给体数：
  2
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl]oxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxymethyl]-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl] (2,5-dichlorophenyl) 2-(4-nitrophenyl)ethyl phosphate 在 oximate 作用下， 生成 [(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[hydroxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl] 2-(4-nitrophenyl)ethyl phosphate;N,N-diethylethanamine
  参考文献：
  名称：

  Synthesis of inosinate trimer I2′p5′I2′pt′I and tetramer I2′p5′I2′p5′I2′p5′I

  摘要：

  DOI：

  10.1016/s0040-4039(00)85714-7
• 作为产物：
  描述：

  3'-O-(tert-butyl)dimethylsilylinosine-2'-<2,5-dichlorophenyl 2-(p-nitrophenyl)ethyl phosphate> 、 Phosphoric acid (2R,3R,4R,5R)-4-(tert-butyl-dimethyl-silanyloxy)-5-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-2-(6-oxo-1,6-dihydro-purin-9-yl)-tetrahydro-furan-3-yl ester 2-(4-nitro-phenyl)-ethyl ester; compound with triethyl-amine 以71%的产率得到[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl]oxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxymethyl]-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl] (2,5-dichlorophenyl) 2-(4-nitrophenyl)ethyl phosphate
  参考文献：
  名称：

  Synthesis of inosinate trimer I2′p5′I2′pt′I and tetramer I2′p5′I2′p5′I2′p5′I

  摘要：

  DOI：

  10.1016/s0040-4039(00)85714-7

文献信息

• CHARUBALA, RAMAMURTHY;PFLEIDERER, WOLFGANG, HETEROCYCLES, 30,(1990) N, C. 1141-1153
  作者：CHARUBALA, RAMAMURTHY、PFLEIDERER, WOLFGANG

  DOI：——

  日期：——