disodium 2-hydroxypentanedioate

• ChemBase编号: 170616
• 分子式: C5H6Na2O5
• 平均质量: 192.07768
• 单一同位素质量: 192.00106185
• SMILES: C(CCC(=O)[O-])(O)C(=O)[O-].[Na+].[Na+]
• Canonical SMILES: [O-]C(=O)CCC(C(=O)[O-])O.[Na+].[Na+]
• InChI: InChI=1S/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
• InChIKey: DZHFTEDSQFPDPP-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 2-hydroxypentanedioate
• IUPAC传统名: disodium α-hydroxyglutarate
• 别名: 2-Hydroxypentanedioic Acid Sodium Salt; (+/-)-2-Hydroxyglutaric Acid Disodium Salt; α-Hydroxyglutaric Acid Sodium Salt; 2,3-Dideoxypentaric Acid Disodium Salt; DL-2-Hydroxyglutaric Acid Disodium Salt; Sodium α-Hydroxyglutarate; 2-Hydroxyglutaric Acid Disodium Salt, contains up to 10% Methanol

登记号

• CAS号: 40951-21-1
• PubChem SID: 164226526
• PubChem CID: 218623

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

分子性质

理化性质

• 溶解度: Water
• 外观: White to Off-White Solid
• 熔点: >290°C (dec.)

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - H942575

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)