disodium (2R)-2-hydroxypentanedioate

• ChemBase ID: 130587
• Molecular Formular: C5H6Na2O5
• Molecular Mass: 192.07768
• Monoisotopic Mass: 192.00106185
• SMILES: C(CC(=O)[O-])[C@H](C(=O)[O-])O.[Na+].[Na+]
• Canonical SMILES: [O-]C(=O)CC[C@H](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/t3-;;/m1../s1
• InChIKey: DZHFTEDSQFPDPP-HWYNEVGZSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium (2R)-2-hydroxypentanedioate
• IUPAC Traditional name: disodium (R)-2-hydroxyglutarate
• Synonyms: D-α-Hydroxyglutaric acid disodium salt; (2R)-2-Hydroxypentanedioic Acid Disodium Salt; (R)-2-Hydroxyglutaric Acid Disodium Salt; (R)-α-Hydroxyglutaric Acid Disodium Salt; D-2-Hydroxyglutaric Acid Disodium Salt; (2R)-2-Hydroxyglutaric Acid Disodium Salt; (R)-2-羟基戊二酸; 2-羟基-D-谷氨酸 二钠盐

Database IDs

• CAS Number: 103404-90-6
• MDL Number: MFCD00069573
• PubChem SID: 162224865; 24895823
• PubChem CID: 51051608

CALCULATED PROPERTIES

• Acid pKa: 3.276486
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.3875756
• LogD (pH = 7.4): -7.3476586
• Log P: -0.8249802
• Molar Refractivity: 51.3044 cm^3
• Polarizability: 11.659656 Å^3
• Polar Surface Area: 100.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Pale Orange Solid
• Melting Point: >291°C (dec.)

Safety Information

• Storage Condition: Refrigerator
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥95% (GC)

DETAILS

Sigma Aldrich - H8378

包装
100, 250 mg in poly bottle

Toronto Research Chemicals - H942565

A potential inhibitor of glutamate carboxypeptidase.

REFERENCES

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