(5-Benzyloxycarbonylaminocarbonyl-3-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-chloro-phenoxy)-(2-cyano-ethoxy)-phosphoryloxy]-tetrahydro-furan-2-yl}-3H-imidazol-4-yl)-carbamic acid benzyl ester | 170871-12-2

• 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-Benzyloxycarbonylaminocarbonyl-3-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-chloro-phenoxy)-(2-cyano-ethoxy)-phosphoryloxy]-tetrahydro-furan-2-yl}-3H-imidazol-4-yl)-carbamic acid benzyl ester
• CAS: 170871-12-2
• 化学式: C₅₅H₅₁ClN₅O₁₃P
• 分子量: 1056.46
• InChiKey: BNLIFRCHTYQWRW-TUGNAVMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.17
• 重原子数：
  75.0
• 可旋转键数：
  22.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  217.02
• 氢给体数：
  2.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  (5-Benzyloxycarbonylaminocarbonyl-3-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-chloro-phenoxy)-(2-cyano-ethoxy)-phosphoryloxy]-tetrahydro-furan-2-yl}-3H-imidazol-4-yl)-carbamic acid benzyl ester 在 三乙胺 作用下， 以 吡啶 、 水 为溶剂， 反应 0.33h， 生成 (5-Benzyloxycarbonylaminocarbonyl-3-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-chloro-phenoxy)-hydroxy-phosphoryloxy]-tetrahydro-furan-2-yl}-3H-imidazol-4-yl)-carbamic acid benzyl ester
  参考文献：
  名称：

  Oligodeoxynucleotides Embodying the Ambiguous Base Z, 5-Amino-imidazole-4-carboxamide

  摘要：

  Short oligomers containing 5-amino-1-(2-deoxy-beta-D-ribofuranosyl)imidazole-4-carboxamide (dZ) were synthesized in solution using the phosphotriester methodology. Usual acyl groups were used for the canonical bases. For the exocyclic amino function of Z residue, the hydrogenolyzable benzyloxycarbonyl group was introduced

  DOI：

  10.1080/15257779508010683
• 作为产物：
  描述：

  {5-Benzyloxycarbonylaminocarbonyl-3-[(2R,4S,5R)-4-(tert-butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-3H-imidazol-4-yl}-carbamic acid benzyl ester 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 反应 7.58h， 生成 (5-Benzyloxycarbonylaminocarbonyl-3-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-chloro-phenoxy)-(2-cyano-ethoxy)-phosphoryloxy]-tetrahydro-furan-2-yl}-3H-imidazol-4-yl)-carbamic acid benzyl ester
  参考文献：
  名称：

  Oligodeoxynucleotides Embodying the Ambiguous Base Z, 5-Amino-imidazole-4-carboxamide

  摘要：

  Short oligomers containing 5-amino-1-(2-deoxy-beta-D-ribofuranosyl)imidazole-4-carboxamide (dZ) were synthesized in solution using the phosphotriester methodology. Usual acyl groups were used for the canonical bases. For the exocyclic amino function of Z residue, the hydrogenolyzable benzyloxycarbonyl group was introduced

  DOI：

  10.1080/15257779508010683