5-bromo-1-(2-deoxy-3-O-<2-(formylamino)ethyl>-5-O-<4,4'-dimethoxytrityl>-β-D-erythro-pentofuranosyl)uracil | 174020-24-7

• 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: 5-bromo-1-(2-deoxy-3-O-<2-(formylamino)ethyl>-5-O-<4,4'-dimethoxytrityl>-β-D-erythro-pentofuranosyl)uracil
• CAS: 174020-24-7
• 化学式: C₃₃H₃₄BrN₃O₈
• 分子量: 680.552
• InChiKey: WFEMVPJZMRZNSF-FRXPANAUSA-N

物化性质

• 密度：
  1.465±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  45.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  130.11
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  5-bromo-1-(2-deoxy-3-O-<2-(formylamino)ethyl>-5-O-<4,4'-dimethoxytrityl>-β-D-erythro-pentofuranosyl)uracil 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以85%的产率得到5-bromo-1-<3-O-(2-aminoethyl)-2-deoxy-5-O-<4,4'-dimethoxytrityl>-β-D-erythro-pentofuranosyl>uracil
  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
• 作为产物：
  描述：

  5-bromo-1-(2-deoxy-3-O-<2-(formylamino)ethyl>-5-O-trityl-β-D-erythro-pentofuranosyl)uracil 在 吡啶 、 溶剂黄146 作用下， 反应 5.17h， 生成 5-bromo-1-(2-deoxy-3-O-<2-(formylamino)ethyl>-5-O-<4,4'-dimethoxytrityl>-β-D-erythro-pentofuranosyl)uracil
  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