(R_P)-N²-isobutyryl-5'-O-(4,4-dimethoxytrityl)-2'-deoxyguanosylyl-(3'->5')-N⁶-benzoyl-3'-O-<1,1-dimethylethyl)dimethylsilyl>-2'-deoxyadenosine 3'-H-phosphonate | 133471-13-3

• 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: (R_P)-N²-isobutyryl-5'-O-(4,4-dimethoxytrityl)-2'-deoxyguanosylyl-(3'->5')-N⁶-benzoyl-3'-O-<1,1-dimethylethyl)dimethylsilyl>-2'-deoxyadenosine 3'-H-phosphonate
• 英文别名: (R_P)-N²-isobutyryl-5'-O-(4,4-dimethoxytrityl)-2'-deoxyguanosylyl-(3'->5')-N⁶-benzoyl-3'-O-[1,1-dimethylethyl)dimethylsilyl]-2'-deoxyadenosine 3'-H-phosphonate；N-[9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-oxidophosphaniumyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]purin-6-yl]benzamide
• CAS: 133471-13-3；133574-74-0
• 化学式: C₅₈H₆₇N₁₀O₁₂PSi
• 分子量: 1155.29
• InChiKey: ACCDBHGNGMPHLG-ADTIKBKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.52
• 重原子数：
  82
• 可旋转键数：
  22
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  258
• 氢给体数：
  3
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  triethylammonium 5'-O-(dimethoxytrityl)-2-N-isobutyryl-2'-deoxyguanosine 3'-H-phosphonate 、 N-苯甲酰-2'-脱氧-3'-O-(1,1-二甲基乙基)二甲基硅氧基-腺苷 在 吡啶 、 三甲基乙酰氯 作用下， 反应 0.17h， 以41%的产率得到(R_P)-N²-isobutyryl-5'-O-(4,4-dimethoxytrityl)-2'-deoxyguanosylyl-(3'->5')-N⁶-benzoyl-3'-O-<1,1-dimethylethyl)dimethylsilyl>-2'-deoxyadenosine 3'-H-phosphonate
  参考文献：
  名称：

  Diastereomerically pure Rp and Sp dinucleoside H-phosphonates: the stereochemical course of their conversion into P-methylphosphonates, phosphorothioates, and [oxygen-18] chiral phosphates

  摘要：

  DOI：

  10.1021/jo00012a017

文献信息

• Diastereomerically pure Rp and Sp dinucleoside H-phosphonates: the stereochemical course of their conversion into P-methylphosphonates, phosphorothioates, and [oxygen-18] chiral phosphates
  作者：Frank Seela、Uwe Kretschmer

  DOI：10.1021/jo00012a017

  日期：1991.6