oxovanadiumbis(ylium) oxalate

• ChemBase ID: 111544
• Molecular Formular: C2O5V
• Molecular Mass: 154.9599
• Monoisotopic Mass: 154.9185326
• SMILES: O=[V+2].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[V+2]=O
• InChI: InChI=1S/C2H2O4.O.V/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;;+2/p-2
• InChIKey: SJDXYUDKQYOEES-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: oxovanadiumbis(ylium) oxalate
• IUPAC Traditional name: oxovanadium(IV) oxalate ion
• Synonyms: VANADYL OXALATE

Database IDs

• PubChem SID: 162105782
• PubChem CID: 21900408

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219805

MP Biomedicals Rare Chemical collection