vanadium(3+) ion tris(2,4-dioxopentan-3-ide)

• ChemBase ID: 111541
• Molecular Formular: C15H21O6V
• Molecular Mass: 348.26514
• Monoisotopic Mass: 348.07777289
• SMILES: [V+3].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C
• Canonical SMILES: CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[V+3]
• InChI: InChI=1S/3C5H7O2.V/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: ZVFSRLXFKIWGRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: vanadium(3+) ion tris(2,4-dioxopentan-3-ide)
• IUPAC Traditional name: vanadium(3+) triacetylacetonate
• Synonyms: VANADIUM ACETYLACETONATE

Database IDs

• CAS Number: 13476-99-8
• EC Number: 236-759-1
• PubChem SID: 162089616
• PubChem CID: 5486773

CALCULATED PROPERTIES

• Acid pKa: 8.505447
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.7326665
• LogD (pH = 7.4): -2.7930646
• Log P: 0.3281338
• Molar Refractivity: 24.8596 cm^3
• Polarizability: 9.984604 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

DETAILS

MP Biomedicals - 05219791

MP Biomedicals Rare Chemical collection