(2S,3S,3aS,10aR)-2-Dimethoxymethyl-3,5-dihydroxy-2,3,3a,10a-tetrahydro-5H-furo[3,2-b]pyrimido[1,6-d][1,4]oxazine-7,9-dione | 199915-53-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (2S,3S,3aS,10aR)-2-Dimethoxymethyl-3,5-dihydroxy-2,3,3a,10a-tetrahydro-5H-furo[3,2-b]pyrimido[1,6-d][1,4]oxazine-7,9-dione
• 英文别名: (2R,4S,5S,6S)-4-(dimethoxymethyl)-5,8-dihydroxy-3,7-dioxa-1,12-diazatricyclo[7.4.0.02,6]tridec-9-ene-11,13-dione
• CAS: 199915-53-2
• 化学式: C₁₂H₁₆N₂O₈
• 分子量: 316.268
• InChiKey: KNFMLJWTWKJKEN-PLJUCTGSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  127
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (2S,3S,3aS,10aR)-2-Dimethoxymethyl-3,5-dihydroxy-2,3,3a,10a-tetrahydro-5H-furo[3,2-b]pyrimido[1,6-d][1,4]oxazine-7,9-dione 在 对甲苯磺酸 作用下， 以 N,N-二甲基乙酰胺 、 苯 为溶剂， 以25%的产率得到
  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：

  (2R,4S,5S,6S)-4-(dimethoxymethyl)-12-(1,3-diphenylimidazolidin-2-yl)-5-hydroxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one 在 sodium hydroxide 、 4 A molecular sieve 、 DOWEX-50(H+) 、 二甲基亚砜 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (2S,3S,3aS,10aR)-2-Dimethoxymethyl-3,5-dihydroxy-2,3,3a,10a-tetrahydro-5H-furo[3,2-b]pyrimido[1,6-d][1,4]oxazine-7,9-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

文献信息

• Development of Novel Bridged and Caged Nucleoside Analogs as Biochemical Tools
  作者：Michael P. Groziak、Ronghui Lin

  DOI：10.1080/07328319708006196

  日期：1997.7

  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.