1-(3',4'-isopropylidene-β-D-galactopyranosyl)thymine-2'-phosphorylyl-(2'-5')-2'-deoxyadenosine | 444993-62-8

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: 1-(3',4'-isopropylidene-β-D-galactopyranosyl)thymine-2'-phosphorylyl-(2'-5')-2'-deoxyadenosine
• 英文别名: [(3aS,4R,6R,7R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
• CAS: 444993-62-8
• 化学式: C₂₄H₃₂N₇O₁₂P
• 分子量: 641.532
• InChiKey: YJSKLVJQLYEZDD-CFCNTXQFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  252
• 氢给体数：
  5
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  1-(3',4'-isopropylidene-β-D-galactopyranosyl)thymine-2'-phosphorylyl-(2'-5')-2'-deoxyadenosine 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 20.0h， 生成 1-(β-D-galactopyranosyl)thymine-2'-phosphorylyl-(2'-5')-2'-deoxyadenosine
  参考文献：
  名称：

  摘要：

  A convenient method of regioselective introduction of 1-beta-D-galactopyranosylthymine into oligonucleotides was developed and the substrate properties of the modified oligonucleotides were investigated in the enzymatic reactions of formation and hydrolysis of internucleotide bonds.

  DOI：

  10.1023/a:1013906303698
• 作为产物：
  描述：

  pyridinium N⁶,3'-O-diacetyl-2'-deoxyadenosine-5'-phosphate 在 吡啶 、 氨 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 为溶剂， 反应 149.0h， 生成 1-(3',4'-isopropylidene-β-D-galactopyranosyl)thymine-2'-phosphorylyl-(2'-5')-2'-deoxyadenosine
  参考文献：
  名称：

  摘要：

  A convenient method of regioselective introduction of 1-beta-D-galactopyranosylthymine into oligonucleotides was developed and the substrate properties of the modified oligonucleotides were investigated in the enzymatic reactions of formation and hydrolysis of internucleotide bonds.

  DOI：

  10.1023/a:1013906303698