sodium carbamoylformate

• ChemBase ID: 102923
• Molecular Formular: C2H2NNaO3
• Molecular Mass: 111.03195
• Monoisotopic Mass: 110.99323721
• SMILES: [Na+].NC(=O)C(=O)[O-]
• Canonical SMILES: NC(=O)C(=O)[O-].[Na+]
• InChI: InChI=1S/C2H3NO3.Na/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6);/q;+1/p-1
• InChIKey: RQVZIJIQDCGIKI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium carbamoylformate
• IUPAC Traditional name: sodium oxamate; potassium oxamate
• Synonyms: Sodium oxamate; Oxamic acid sodium salt; Oxamic acid sodium salt; Sodium oxamate; Aminooxoacetic acid sodium salt; Oxalic acid monoamide sodium salt; OXAMIC ACID SODIUM SALT; 氨基氧乙酸 钠盐; 草氨酸 钠盐; 草酸单酰胺 钠盐; 草氨酸钠

Database IDs

• CAS Number: 565-73-1
• EC Number: 209-290-5
• MDL Number: MFCD00044553
• Beilstein Number: 6538153
• PubChem SID: 24278607; 162089372
• PubChem CID: 5242

CALCULATED PROPERTIES

• Acid pKa: 2.485492
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.9762661
• LogD (pH = 7.4): -4.582959
• Log P: -1.0706942
• Molar Refractivity: 27.0979 cm^3
• Polarizability: 6.310887 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL, clear, colorless
• Melting Point: >300°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%; ≥99.0% (NT); 98%
• Linear Formula: NH2COCOONa

DETAILS

MP Biomedicals - 02105564

Sodium Salt
Crystalline
Purity: 98%

Sigma Aldrich - O2751

Biochem/physiol Actions
Structural analog of pyruvate, inhibits L(+)-lactate dehydrogenase and derails the entire gluconeogenic pathway1. Binding studies with lactate dehydrogenase2; Mechanism of inhibition of mitochondrial pyruvate metabolism3

Sigma Aldrich - 75791

Other Notes
Structural analog of pyruvate, inhibits L(+)-lactate dehydrogenase and derails the entire gluconeogenic pathway1. Binding studies with lactate dehydrogenase2; Mechanism of inhibition of mitochondrial pyruvate metabolism3