(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile
• 英文别名: (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile
• 化学式: C45H48N10O14P2
• 分子量: 1014.9
• InChiKey: ITVUQRORFVHSHG-PBBFEIQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  71
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  301
• 氢给体数：
  2
• 氢受体数：
  22