iron(3+) ion tridimethylarsinate

• ChemBase ID: 107278
• Molecular Formular: C6H18As3FeO6
• Molecular Mass: 466.81332
• Monoisotopic Mass: 466.8100638
• SMILES: [Fe+3].C[As](=O)(C)[O-].C[As](=O)(C)[O-].C[As](=O)(C)[O-]
• Canonical SMILES: [O-][As](=O)(C)C.[O-][As](=O)(C)C.[O-][As](=O)(C)C.[Fe+3]
• InChI: InChI=1S/3C2H7AsO2.Fe/c3*1-3(2,4)5;/h3*1-2H3,(H,4,5);/q;;;+3/p-3
• InChIKey: LZHICUSBBXKVSP-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion tridimethylarsinate
• IUPAC Traditional name: ferric iron tricacodylate ion
• Synonyms: FERRIC CACODYLATE

Database IDs

• CAS Number: 5968-84-3
• PubChem SID: 162094525
• PubChem CID: 22273

CALCULATED PROPERTIES

• Acid pKa: 6.222334
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.40412536
• LogD (pH = 7.4): -1.5005654
• Log P: -0.3292
• Molar Refractivity: 14.7772 cm^3
• Polarizability: 9.505158 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203180

MP Biomedicals Rare Chemical collection