5-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase编号: 310006
• 分子式: C4H4N2O3
• 平均质量: 128.08616
• 单一同位素质量: 128.022192
• SMILES: [nH]1c(=O)c(c[nH]c1=O)O
• Canonical SMILES: Oc1c[nH]c(=O)[nH]c1=O
• InChI: InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)
• InChIKey: OFJNVANOCZHTMW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC传统名: 5-hydroxyuracil
• 别名: 5-hydroxy-2,4(1H,3H)-pyrimidinedione

登记号

• CAS号: 20636-41-3
• MDL号: MFCD11615701

理论计算性质

• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -1.1023301
• LogD (pH = 7.4): -1.1188635
• Log P: -1.1021154
• 摩尔折射率: 27.9367 cm^3
• 极化性: 10.384733 Å^3
• 极化表面积: 78.43 Å^2