sodium 2-oxopropanoate

• ChemBase ID: 105843
• Molecular Formular: C3H3NaO3
• Molecular Mass: 110.04389
• Monoisotopic Mass: 109.99798824
• SMILES: CC(=O)C(=O)O[Na]
• Canonical SMILES: CC(=O)C(=O)O[Na]
• InChI: InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1
• InChIKey: DAEPDZWVDSPTHF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-oxopropanoate
• IUPAC Traditional name: sodium pyruvate
• Synonyms: Sodium α-ketopropionate; Sodium 2-oxopropanoate; PYRUVIC ACID SODIUM SALT; Pyruvic acid sodium salt; SODIUM PYRUVATE

Database IDs

• CAS Number: 113-24-6
• EC Number: 204-024-4
• PubChem SID: 162087180
• PubChem CID: 23662274

CALCULATED PROPERTIES

• Acid pKa: 17.205378
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3174
• LogD (pH = 7.4): 1.3174
• Log P: 1.3174
• Molar Refractivity: 17.0621 cm^3
• Polarizability: 8.910947 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• Storage Condition: 2-8°C
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Purity: ≥99%

DETAILS

MP Biomedicals - 02194734

Cell Culture Reagent
Sodium Salt
Purity: 99+%