trivanadoxane-1,1,3,3,5,5-hexol

• ChemBase ID: 3832
• Molecular Formular: H6O8V3
• Molecular Mass: 286.86734
• Monoisotopic Mass: 286.83814565
• SMILES: O[V](O)O[V](O)(O)O[V](O)O
• Canonical SMILES: O[V](O[V](O[V](O)O)(O)O)O
• InChI: InChI=1S/6H2O.2O.3V/h6*1H2;;;;;/q;;;;;;;;3*+2/p-6
• InChIKey: FUHNYNGYWNVWOA-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: trivanadoxane-1,1,3,3,5,5-hexol
• IUPAC Traditional name: @trivanadate
• Synonyms: Trivanadate

Database IDs

• PubChem SID: 46508505; 160967269
• PubChem CID: 3393380

CALCULATED PROPERTIES

• Acid pKa: 15.849585
• H Acceptors: 8
• H Donor: 6
• LogD (pH = 5.5): -2.6748
• LogD (pH = 7.4): -2.6748
• Log P: -2.6748
• Molar Refractivity: 18.088 cm^3
• Polarizability: 17.139263 Å^3
• Polar Surface Area: 139.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

DETAILS

DrugBank - DB04219

• Drug Groups: experimental
• External Links: Wikipedia