2-hydroxy-4-oxopentanedioic acid

• ChemBase编号: 170680
• 分子式: C5H6O6
• 平均质量: 162.09754
• 单一同位素质量: 162.01643791
• SMILES: C(=O)(CC(O)C(=O)O)C(=O)O
• Canonical SMILES: OC(C(=O)O)CC(=O)C(=O)O
• InChI: InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)
• InChIKey: WXSKVKPSMAHCSG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydroxy-4-oxopentanedioic acid
• IUPAC传统名: 4-hydroxy-2-oxoglutaric acid
• 别名: 2-Hydroxy-4-oxopentanedioic Acid; 4-Hydroxy-2-ketoglutaric Acid Dilithium Salt; 4-Hydroxy-2-oxoglutaric Acid; DL-2-Oxo-4-hydroxyglutarate Dilithium Salt; DL-2-Keto-4-Hydroxyglutaric Acid; γ-Hydroxy-α-ketoglutaric Αcid Dilithium Salt; DL-4-Hydroxy-2-ketoglutarate Dilithium Salt

登记号

• CAS号: 1187-99-1
• PubChem SID: 164226590
• PubChem CID: 599

理论计算性质

• Acid pKa: 2.449106
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): -5.917913
• LogD (pH = 7.4): -7.7695274
• Log P: -0.82442176
• 摩尔折射率: 30.2212 cm^3
• 极化性: 12.1204815 Å^3
• 极化表面积: 111.9 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - H943645

A 4-substituted analog of Glutamic acid. This compound is a good enzyme substrate for GOT (glutamic oxalacetic aminotransferase).

参考文献

• Hori, Y., et al.: J. Anal. Toxicol., 27, 162 (2003)
• Alessandri, M., et al.: Anal. Biochem., 343, 356 (2003)
• Mashego, M., et al.: Biotechnol. Lett., 29, 1 (2003)