disodium 2-oxopentanedioate

• ChemBase ID: 103340
• Molecular Formular: C5H4Na2O5
• Molecular Mass: 190.0618
• Monoisotopic Mass: 189.98541179
• SMILES: [Na+].[Na+].[O-]C(=O)CCC(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)CCC(=O)C(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C5H6O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
• InChIKey: YBGBJYVHJTVUSL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2-oxopentanedioate
• IUPAC Traditional name: dipotassium oxoglutarate
• Synonyms: 2-Oxoglutaric acid disodium salt; Sodium α-ketoglutarate dibasic; α-KETOGLUTARIC ACID

Database IDs

• CAS Number: 305-72-6
• EC Number: 206-167-8
• PubChem SID: 162090419
• PubChem CID: 31040

CALCULATED PROPERTIES

• Acid pKa: 2.6639607
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -4.5082493
• LogD (pH = 7.4): -6.8562856
• Log P: -0.1092633
• Molar Refractivity: 50.5572 cm^3
• Polarizability: 11.140256 Å^3
• Polar Surface Area: 97.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249-253°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02151392

Disodium Salt
Anhydrous