[(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-[2-benzamido-6-[2-(4-nitrophenyl)ethoxy]purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-(2-cyanoethoxy)phosphoryl]oxy-2-(6-benzamidopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methyl 2-cyanoethyl phosphate | 115383-42-1

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物
• 英文名称: [(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-[2-benzamido-6-[2-(4-nitrophenyl)ethoxy]purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-(2-cyanoethoxy)phosphoryl]oxy-2-(6-benzamidopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methyl 2-cyanoethyl phosphate
• CAS: 115383-42-1
• 化学式: C₈₈H₁₁₈N₁₆O₂₃P₂Si₄
• 分子量: 1942.29
• InChiKey: BXMWTWRJQABOPH-JRAMDZSYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.34
• 重原子数：
  133.0
• 可旋转键数：
  39.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  483.7
• 氢给体数：
  4.0
• 氢受体数：
  35.0

反应信息

• 作为反应物：
  描述：

  [(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-[2-benzamido-6-[2-(4-nitrophenyl)ethoxy]purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-(2-cyanoethoxy)phosphoryl]oxy-2-(6-benzamidopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methyl 2-cyanoethyl phosphate 生成 [(2R,3R,4R,5R)-4-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
  参考文献：
  名称：

  DAMHA, MASAD J.;OGILVIE, KELVIN K., J. ORG. CHEM., 53,(1988) N 16, C. 3864

  摘要：

  DOI：
• 作为产物：
  描述：

  N⁶-Benzoyl-5'-O-monomethoxytrityladenosine 、 N²-benzoyl-O⁶-(p-nitrophenylethyl)-2',3'-bis-O-(tert-butyldimethylsilyl)guanosine 5'-O-(β-cyanoethyl N,N-diisopropylphosphoramidite) 生成 [(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-(2-cyanoethoxy)phosphoryl]oxy-2-(6-benzamidopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methyl 2-cyanoethyl phosphate 、 [(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-[2-benzamido-6-[2-(4-nitrophenyl)ethoxy]purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-(2-cyanoethoxy)phosphoryl]oxy-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methyl 2-cyanoethyl phosphate 、 [(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-[2-benzamido-6-[2-(4-nitrophenyl)ethoxy]purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-(2-cyanoethoxy)phosphoryl]oxy-2-(6-benzamidopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methyl 2-cyanoethyl phosphate 、
  参考文献：
  名称：

  Synthesis and spectroscopic analysis of branched RNA fragments: messenger RNA splicing intermediates

  摘要：

  DOI：

  10.1021/jo00251a010