[5-Acetamido-2-carboxy-6-[1,2-dihydroxy-3-(2-methylpentanoylamino)propyl]-4-hydroxyoxan-2-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-carboxy-4-hydroxy-5-(2-methylpentanoylamino)-6-(1,2,3-trihydroxypropyl)oxan-2-yl] phosphate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: [5-Acetamido-2-carboxy-6-[1,2-dihydroxy-3-(2-methylpentanoylamino)propyl]-4-hydroxyoxan-2-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-carboxy-4-hydroxy-5-(2-methylpentanoylamino)-6-(1,2,3-trihydroxypropyl)oxan-2-yl] phosphate
• 英文别名: [5-acetamido-2-carboxy-6-[1,2-dihydroxy-3-(2-methylpentanoylamino)propyl]-4-hydroxyoxan-2-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-carboxy-4-hydroxy-5-(2-methylpentanoylamino)-6-(1,2,3-trihydroxypropyl)oxan-2-yl] phosphate
• 化学式: C50H79N9O32P2-2
• 分子量: 1380.2
• InChiKey: DBCXKYQQBNHECE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -8.83
• 重原子数：
  93
• 可旋转键数：
  29
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  656
• 氢给体数：
  18
• 氢受体数：
  32