2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium

• ChemBase ID: 2406
• Molecular Formular: O19V7
• Molecular Mass: 660.5791
• Monoisotopic Mass: 660.51109428
• SMILES: O=[V]([O-])[O+]([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O+]([V](=O)[O-])[V](=O)(=O)=O)[V](=O)(=O)=O
• Canonical SMILES: [O-][V](=O)[O+]([V](=O)(=O)=O)[V](=O)O[V](=O)(=O)O[V](=O)(=O)[O+]([V](=O)(=O)=O)[V](=O)[O-]
• InChI: InChI=1S/19O.7V/q;;;;;;;;;;;;;;;2*-1;2*+1
• InChIKey: ONZDNYIINYVFKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium
• IUPAC Traditional name: 2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium
• Synonyms: Meta Vanadate

Database IDs

• PubChem SID: 46508307; 160965857
• PubChem CID: 0

CALCULATED PROPERTIES

• Acid pKa: 10.441961
• H Acceptors: 15
• H Donor: 0
• LogD (pH = 5.5): -5.4982047
• LogD (pH = 7.4): -5.498592
• Log P: -5.4982
• Molar Refractivity: 50.5737 cm^3
• Polarizability: 37.004913 Å^3
• Polar Surface Area: 313.67 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

DETAILS

DrugBank - DB02681

Drug information: experimental