tetraoxocyclotetravanadoxane-2,4,6,8-tetrakis(olate)

• ChemBase ID: 1907
• Molecular Formular: O12V4----
• Molecular Mass: 395.7588
• Monoisotopic Mass: 395.71481344
• SMILES: [O-][V]1(=O)O[V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])O1
• Canonical SMILES: [O-][V]1(=O)O[V](=O)([O-])O[V](=O)(O[V](=O)(O1)[O-])[O-]
• InChI: InChI=1S/12O.4V/q;;;;;;;;4*-1
• InChIKey: ACTPEXQBEHJTBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraoxocyclotetravanadoxane-2,4,6,8-tetrakis(olate)
• IUPAC Traditional name: cyclo-tetravanadate(4-)
• Synonyms: Cyclo-Tetrametavanadate

Database IDs

• PubChem SID: 160965362; 46505756
• PubChem CID: 3393379

CALCULATED PROPERTIES

• Acid pKa: 11.398278
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -2.4656005
• LogD (pH = 7.4): -2.4656434
• Log P: -2.4656
• Molar Refractivity: 16.944 cm^3
• Polarizability: 21.477331 Å^3
• Polar Surface Area: 197.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

DrugBank - DB02147

Drug information: experimental