sodium 4-carboxy-2-oxobutanoate

• ChemBase ID: 102122
• Molecular Formular: C5H5NaO5
• Molecular Mass: 168.07997
• Monoisotopic Mass: 168.00346754
• SMILES: [Na+].OC(=O)CCC(=O)C(=O)[O-]
• Canonical SMILES: OC(=O)CCC(=O)C(=O)[O-].[Na+]
• InChI: InChI=1S/C5H6O5.Na/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+1/p-1
• InChIKey: MOTOGHHLNTXPTI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 4-carboxy-2-oxobutanoate
• IUPAC Traditional name: sodium 2-ketoglutarate; potassium 2-oxoglutarate(1-)
• Synonyms: α-KETOGLUTARIC ACID; α-Ketoglutaric acid sodium salt; Sodium 2-oxoglutarate monobasic; 2-Oxopentanedioic Acid Monosodium Salt; 2-Oxoglutaric acid monosodium salt; α-KETOGLUTARIC ACID MONOSODIUM SALT; 2-氧代戊二酸 单钠盐; 2-氧化戊二酸 单钠盐; 2-酮戊二酸钠 一元; α-酮戊二酸 钠盐

Database IDs

• CAS Number: 17091-15-5; 22202-68-2
• EC Number: 244-836-6; 241-157-7
• MDL Number: MFCD00064196
• Beilstein Number: 4597521
• PubChem SID: 24896216; 162088368; 24896212
• PubChem CID: 23670750

CALCULATED PROPERTIES

• Acid pKa: 2.6639607
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.5082493
• LogD (pH = 7.4): -6.8562856
• Log P: -0.1092633
• Molar Refractivity: 39.7201 cm^3
• Polarizability: 11.259781 Å^3
• Polar Surface Area: 94.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.5 M, clear, colorless

Safety Information

• Storage Condition: 2-8°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (enzymatic); ≥98.0% (NT); 95-97%
• Impurities: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.001%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• Antion Traces: chloride (Cl-): ≤0.05%; sulfate (SO42-): ≤0.05%
• Quality Level: PREMIUM
• Linear Formula: HOOCCH2CH2COCOONa

DETAILS

MP Biomedicals - 05201075

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02100245

Monosodium Salt
Crystalline
Purity: 95-97%

Sigma Aldrich - K1875

包装
1 g in poly tube
1 kg in poly bottle
5, 25, 100 g in poly bottle

Sigma Aldrich - K2010

Biochem/physiol Actions
α-Ketoglutaric acid is a key intermediate in the TCA Cycle. It also plays an important role in preventing nitrogen overload by combining with nitrogen released within the cell.

Sigma Aldrich - 75893

Other Notes
Substrate for the determination of glutamate dehydrogenase1; aspartate aminotransferase2,3; and alanie aminotransferase4