4-Amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; 1-[(2R,4S,5S)-4-Azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione; 1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-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: 4-Amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; 1-[(2R,4S,5S)-4-Azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione; 1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione
• 英文别名: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione
• 化学式: C39H48N10O10S
• 分子量: 848.9
• InChiKey: JTZSLTWKFCRDNS-HLYDGJMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  60
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  273
• 氢给体数：
  5
• 氢受体数：
  13