[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-N-[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]phosphonamidic acid; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-N-[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]phosphonamidic acid; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
• 英文别名: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• 化学式: C32H40N9O13P
• 分子量: 789.7
• InChiKey: QTNXCOAHDZAAAD-VFGBBXKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.27
• 重原子数：
  55
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  273
• 氢给体数：
  7
• 氢受体数：
  16