(hydroxydioxotungstenio)boronic acid

• ChemBase ID: 107963
• Molecular Formular: BH3O5W
• Molecular Mass: 277.67182
• Monoisotopic Mass: 277.9582846
• SMILES: OB(O)[W](=O)(=O)O
• Canonical SMILES: OB([W](=O)(=O)O)O
• InChI: InChI=1S/BH2O2.H2O.2O.W/c2-1-3;;;;/h2-3H;1H2;;;/q+1;;;;/p-1
• InChIKey: BZFTXSAEESEHTH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (hydroxydioxotungstenio)boronic acid
• IUPAC Traditional name: hydroxydioxotungstenioboronic acid
• Synonyms: BOROTUNGSTIC ACID

Database IDs

• CAS Number: 1303-88-4
• PubChem SID: 162094298
• PubChem CID: 25113258

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.2114
• LogD (pH = 7.4): -1.2114015
• Log P: -1.2114
• Molar Refractivity: 10.5796 cm^3
• Polarizability: 13.437635 Å^3
• Polar Surface Area: 94.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 12.883453

PROPERTIES

Physical Property

• Melting Point: 45°C

DETAILS

MP Biomedicals - 05205609

MP Biomedicals Rare Chemical collection