(2S,3S,3aS,4aS,9aR)-4a-Dihydroxymethyl-2-dimethoxymethyl-3-hydroxy-hexahydro-furo[2',3':4,5]oxazolo[3,2-c]pyrimidine-6,8-dione | 311815-39-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (2S,3S,3aS,4aS,9aR)-4a-Dihydroxymethyl-2-dimethoxymethyl-3-hydroxy-hexahydro-furo[2',3':4,5]oxazolo[3,2-c]pyrimidine-6,8-dione
• 英文别名: (2R,4S,5S,6S,8S)-8-(dihydroxymethyl)-4-(dimethoxymethyl)-5-hydroxy-3,7-dioxa-1,11-diazatricyclo[6.4.0.02,6]dodecane-10,12-dione
• CAS: 311815-39-1
• 化学式: C₁₂H₁₈N₂O₉
• 分子量: 334.283
• InChiKey: GBJXGGHVEYSZDB-WIGMVQFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  147
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (2S,3S,3aS,4aS,9aR)-4a-Dihydroxymethyl-2-dimethoxymethyl-3-hydroxy-hexahydro-furo[2',3':4,5]oxazolo[3,2-c]pyrimidine-6,8-dione 在 4 A molecular sieve 、 对甲苯磺酸 、 二甲基亚砜 作用下， 以 N,N-二甲基乙酰胺 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Development of Novel Bridged and Caged Nucleoside Analogs as Biochemical Tools

  摘要：

  New classes of closely biomimetic, anti conformation restricted, transglycosidic spiro, bridged, and caged pyrimidine nucleoside analogs are being developed. Progress towards accessing members of the new caged 2'-deoxyuridine mimic class is related.

  DOI：

  10.1080/07328319708006196
• 作为产物：
  描述：

  (2S,3S,3aS,4aS,9aR)-2-Dimethoxymethyl-4a-(1,3-diphenyl-imidazolidin-2-yl)-3-hydroxy-hexahydro-furo[2',3':4,5]oxazolo[3,2-c]pyrimidine-6,8-dione 在 DOWEX-50(H+) 作用下， 以 四氢呋喃 、 水 为溶剂， 以100%的产率得到(2S,3S,3aS,4aS,9aR)-4a-Dihydroxymethyl-2-dimethoxymethyl-3-hydroxy-hexahydro-furo[2',3':4,5]oxazolo[3,2-c]pyrimidine-6,8-dione
  参考文献：
  名称：

  Development of Novel Bridged and Caged Nucleoside Analogs as Biochemical Tools

  摘要：

  New classes of closely biomimetic, anti conformation restricted, transglycosidic spiro, bridged, and caged pyrimidine nucleoside analogs are being developed. Progress towards accessing members of the new caged 2'-deoxyuridine mimic class is related.

  DOI：

  10.1080/07328319708006196