(4aR,7R,8S,8aS)-7-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl benzoate | 215959-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4aR,7R,8S,8aS)-7-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl benzoate
• 英文别名: [(4aR,7R,8S,8aS)-7-(2,4-dioxopyrimidin-1-yl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate
• CAS: 215959-64-1
• 化学式: C₂₄H₂₂N₂O₇
• 分子量: 450.448
• InChiKey: NRKSRMGGZINKOY-KLIKROHKSA-N

物化性质

• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.82
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  108.85
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (4aR,7R,8S,8aS)-7-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl benzoate 在 2,4,6-三甲基吡啶 、 silver nitrate 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2-(Uracil-1-yl)-3-O-benzoyl-2-deoxy-4-O-[N,N-diisopropyl(2-cyanoethyl)]phosphoramidite-6-O-monomethoxytrityl-D-altritol
  参考文献：
  名称：

  1,5-Anhydro-2-Deoxy-D-Altritol Oligonucleotides as Conformationally Restricted Analogues of Rna

  摘要：

  As part of a project concerning the investigation of new hexitol nucleic acids (HNA), the 1,5-anhydro-2-deoxy-D-altritol nucleoside building blacks with a uracil, cytosine, adenine and guanine base moiety were synthesized. The uracil analogue was used for the automated synthesis of corresponding oligonucleotides. Hybridization capabilities of these altritol nucleic acids (ANA) are illustrated by the Tm values obtained for the (a(h)U)(13)/(dA)(13) duplex.

  DOI：

  10.1080/07328319808004682
• 作为产物：
  描述：

  1,5:2,3-二脱水-4,6-O-亚苄基-D-蒜糖醇 生成 (4aR,7R,8S,8aS)-7-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl benzoate
  参考文献：
  名称：

  1,5-Anhydro-2-Deoxy-D-Altritol Oligonucleotides as Conformationally Restricted Analogues of Rna

  摘要：

  As part of a project concerning the investigation of new hexitol nucleic acids (HNA), the 1,5-anhydro-2-deoxy-D-altritol nucleoside building blacks with a uracil, cytosine, adenine and guanine base moiety were synthesized. The uracil analogue was used for the automated synthesis of corresponding oligonucleotides. Hybridization capabilities of these altritol nucleic acids (ANA) are illustrated by the Tm values obtained for the (a(h)U)(13)/(dA)(13) duplex.

  DOI：

  10.1080/07328319808004682