[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]methyl 2-cyanoethyl phosphate | 1256728-84-3

• 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,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]methyl 2-cyanoethyl phosphate
• CAS: 1256728-84-3
• 化学式: C₆₃H₇₅N₁₇O₁₅P₂Si
• 分子量: 1400.43
• InChiKey: MFJBRQFIOWQKFX-OWOGYMNBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.41
• 重原子数：
  98
• 可旋转键数：
  30
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  411
• 氢给体数：
  3
• 氢受体数：
  29

反应信息

• 作为反应物：
  描述：

  [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]methyl 2-cyanoethyl phosphate 在 六氟异丙醇 作用下， 反应 4.5h， 以75%的产率得到
  参考文献：
  名称：

  Well-Defined DNA Nanoparticles Templated by Self-Assembled M₁₂L₂₄ Molecular Spheres and Binding of Complementary Oligonucleotides

  摘要：

  Perfectly monodisperse DNA nanoparticles were prepared via the self-assembly of 12 Pd(II) ions and 24 bidentate ligands functionalized with oligonucleotides of varying length (n = 1-3). The DNA nanoparticles formed hydrogen bonds with cDNA strands and an insoluble aggregate formed only with matching trimeric nucleotide strands (tri-A).

  DOI：

  10.1021/ja108334g
• 作为产物：
  描述：

  在 吡啶 、 水 、 碘 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以101 mg的产率得到[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]methyl 2-cyanoethyl phosphate
  参考文献：
  名称：

  Well-Defined DNA Nanoparticles Templated by Self-Assembled M₁₂L₂₄ Molecular Spheres and Binding of Complementary Oligonucleotides

  摘要：

  Perfectly monodisperse DNA nanoparticles were prepared via the self-assembly of 12 Pd(II) ions and 24 bidentate ligands functionalized with oligonucleotides of varying length (n = 1-3). The DNA nanoparticles formed hydrogen bonds with cDNA strands and an insoluble aggregate formed only with matching trimeric nucleotide strands (tri-A).

  DOI：

  10.1021/ja108334g