triiron(2+) ion diarsorate

• ChemBase ID: 106992
• Molecular Formular: As2Fe3O8
• Molecular Mass: 445.3734
• Monoisotopic Mass: 445.60732146
• SMILES: [Fe+2].[Fe+2].[Fe+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-]
• Canonical SMILES: [O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-].[Fe+2].[Fe+2].[Fe+2]
• InChI: InChI=1S/2AsH3O4.3Fe/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6
• InChIKey: PRDPGWOYQAUJJB-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: triiron(2+) ion diarsorate
• IUPAC Traditional name: triiron ion(2+) diarsenate
• Synonyms: FERRIC POTASSIUM TARTRATE; FERROUS ARSENATE

Database IDs

• CAS Number: 10102-50-8; 10102-49-5
• PubChem SID: 162093147
• PubChem CID: 24938

CALCULATED PROPERTIES

• Acid pKa: 3.1531765
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.27436
• LogD (pH = 7.4): -4.5524263
• Log P: -1.21
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 7.079688 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202162

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05224688

MP Biomedicals Rare Chemical collection