iron(3+) ion sodium dioxalate

• ChemBase ID: 112074
• Molecular Formular: C4FeNaO8
• Molecular Mass: 254.87277
• Monoisotopic Mass: 254.88402374
• SMILES: [Na+].[Fe+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[Na+].[Fe+3]
• InChI: InChI=1S/2C2H2O4.Fe.Na/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);;/q;;+3;+1/p-4
• InChIKey: MKBNNYRMBCFUSH-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion sodium dioxalate
• IUPAC Traditional name: ferric iron potassium dioxalate ion
• Synonyms: SODIUM FERRIC OXALATE

Database IDs

• PubChem SID: 162106759
• PubChem CID: 25022160

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05222429

MP Biomedicals Rare Chemical collection