(2S,3S,5R)-N-(2-(((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)oxy)ethyl)-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-carboxamide | 168772-56-3

• 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: (2S,3S,5R)-N-(2-(((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)oxy)ethyl)-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-carboxamide
• CAS: 168772-56-3
• 化学式: C₄₁H₄₁Br₂N₅O₁₂
• 分子量: 955.611
• InChiKey: CCZOPPZXRBPXOO-GYBZEGOUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  60.0
• 可旋转键数：
  15.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  214.43
• 氢给体数：
  4.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  2-氰乙基N,N-二异丙基氯亚磷酰胺 、 (2S,3S,5R)-N-(2-(((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)oxy)ethyl)-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-carboxamide 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Evaluation of Oligonucleotides with Novel Modifications

  摘要：

  Oligodeoxynucleotides modified with carboxamide linked dimeric nucleotides and an acyclic nucleoside were prepared and investigated for their hybridization properties toward DNA.

  DOI：

  10.1080/15257779508012543
• 作为产物：
  描述：

  溴脲苷 在 platinum(IV) oxide 二苯基磷酸 、 氧气 、 三乙胺 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 (2S,3S,5R)-N-(2-(((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)oxy)ethyl)-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-carboxamide
  参考文献：
  名称：

  Synthesis of a Carboxamide Linked U^Br∗U^BrDimer–Duplex and Triplex Stabilities of the Corresponding Oligodeoxynucleotides

  摘要：

  A U-Br*U-Br dimer was synthesized by connecting the appropiate nucleoside monomers through a 5-atom carboxamide linkage. The dimer was incorporated in oligodeoxynucleotides and investigated for hybridization properties toward single and double stranded DNA.

  DOI：

  10.1080/15257779508010721