oxovanadiumbis(ylium) sulfate

• ChemBase ID: 111530
• Molecular Formular: O5SV
• Molecular Mass: 163.0035
• Monoisotopic Mass: 162.8906036
• SMILES: O=[V+2].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[V+2]=O
• InChI: InChI=1S/H2O4S.O.V/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;;+2/p-2
• InChIKey: UUUGYDOQQLOJQA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 27774-13-6
• PubChem SID: 162089389
• PubChem CID: 34007

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

DETAILS

MP Biomedicals - 05219714

MP Biomedicals Rare Chemical collection