1-[(3aR,4R,6R,6aR)-6-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 三唑核糖核苷和核糖核苷酸
• 英文名称: 1-[(3aR,4R,6R,6aR)-6-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide
• 英文别名: 1-[(3aR,4R,6R,6aR)-6-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide
• 化学式: C₁₈H₁₈ClN₄O₉P
• 分子量: 500.8
• InChiKey: XJQJNDSSIWVQHQ-WKQBWZBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  163
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• NOVEL NUCLEOTIDE PRODRUG COMPOUNDS AND USE
  申请人：LIGAND PHARMACEUTICALS INCORPORATION

  公开号：US20150246068A1

  公开（公告）日：2015-09-03

  Embodiments of the present invention include nucleoside 5′-monophosphate derivative compounds, their preparation and their uses. In some embodiments, nucleoside 5′-monophosphate derivative compounds are useful to treat viral infections.
• US9326991B2
  申请人：——

  公开号：US9326991B2

  公开（公告）日：2016-05-03
• [EN] NOVEL NUCLEOTIDE PRODRUG COMPOUNDS AND USE<br/>[FR] NOUVEAUX COMPOSÉS DE PRO-MÉDICAMENT NUCLÉOTIDIQUE ET LEUR UTILISATION
  申请人：LIGAND PHARM INC

  公开号：WO2014043380A1

  公开（公告）日：2014-03-20

  Embodiments of the present invention include nucleoside 5'-monophosphate derivative compounds, their preparation and their uses. In some embodiments, nucleoside 5'- monophosphate derivative compounds are useful to treat viral infections.