oxovanadiumbis(ylium) trihydrate sulfate

• ChemBase ID: 112205
• Molecular Formular: H6O8SV
• Molecular Mass: 217.04934
• Monoisotopic Mass: 216.92229765
• SMILES: O.O.O.O=[V+2].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[V+2]=O.O.O.O
• InChI: InChI=1S/H2O4S.3H2O.O.V/c1-5(2,3)4;;;;;/h(H2,1,2,3,4);3*1H2;;/q;;;;;+2/p-2
• InChIKey: UUNISNRSFHAKFZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: oxovanadiumbis(ylium) trihydrate sulfate
• IUPAC Traditional name: oxovanadium(IV) trihydrate sulfate
• Synonyms: VANADIUM SULFATE

Database IDs

• CAS Number: 27774-13-6
• EC Number: 248-652-7
• PubChem SID: 162097211
• PubChem CID: 18618641

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: YW1925000
• European Hazard Symbols: Toxic (T)
• Risk Statements: R:25
• Safety Statements: S:28-36/37/39-45-53