zinc(2+) ion 2-hydroxypentanedioate

• ChemBase编号: 170617
• 分子式: C5H6O5Zn
• 平均质量: 211.47814
• 单一同位素质量: 209.95066529
• SMILES: C(CCC(=O)[O-])(O)C(=O)[O-].[Zn+2]
• Canonical SMILES: [O-]C(=O)CCC(C(=O)[O-])O.[Zn+2]
• InChI: InChI=1S/C5H8O5.Zn/c6-3(5(9)10)1-2-4(7)8;/h3,6H,1-2H2,(H,7,8)(H,9,10);/q;+2/p-2
• InChIKey: ZNIARNMTLWDVFL-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: zinc(2+) ion 2-hydroxypentanedioate
• IUPAC传统名: zinc(2+) ion α-hydroxyglutarate
• 别名: 2-Hydroxypentanedioic Acid-d4 Zinc Salt Hydrate; 2-Hydroxyglutaric Acid-d4 Zinc Salt Hydrate

登记号

• PubChem SID: 164226527
• PubChem CID: 71749052

理论计算性质

• Acid pKa: 3.276486
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -4.3875756
• LogD (pH = 7.4): -7.3476586
• Log P: -0.8249802
• 摩尔折射率: 51.3044 cm^3
• 极化性: 11.659656 Å^3
• 极化表面积: 100.49 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 - H942577

Labelled 2-Hydroxyglutaric Acid Zinc Salt. 2-Hydroxyglutaric acid is a potential inhibitor of glutamate carboxypeptidase.

参考文献

• Wolcott, T.G., et al.: Biochem. Biophys. Res. Commun., 57, 709 (1974)
• Knowles, P.F., et al.: Eur. J. Biochem., 114, 139 (1974)