{[4-({2,4-dioxo-4-[(oxovanadio)oxy]cyclodivanadoxan-2-yl}oxy)-2,4-dioxocyclodivanadoxan-2-yl]oxy}(oxo)vanadium

• ChemBase ID: 303111
• Molecular Formular: O13V6
• Molecular Mass: 513.6412
• Monoisotopic Mass: 513.59764706
• SMILES: O=[V]O[V]1(=O)O[V](=O)(O1)O[V]1(=O)O[V](=O)(O1)O[V]=O
• Canonical SMILES: O=[V]O[V]1(=O)O[V](=O)(O1)O[V]1(=O)O[V](=O)(O1)O[V]=O
• InChI: InChI=1S/13O.6V
• InChIKey: FTGZPVKRMCXHDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-({2,4-dioxo-4-[(oxovanadio)oxy]cyclodivanadoxan-2-yl}oxy)-2,4-dioxocyclodivanadoxan-2-yl]oxy}(oxo)vanadium
• IUPAC Traditional name: {[4-({2,4-dioxo-4-[(oxovanadio)oxy]cyclodivanadoxan-2-yl}oxy)-2,4-dioxocyclodivanadoxan-2-yl]oxy}(oxo)vanadium
• Synonyms: Vanadium(IV,V) oxide; 氧化钒(IV,V)

Database IDs

• CAS Number: 12037-42-2
• MDL Number: MFCD00064848

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -0.21
• LogD (pH = 7.4): -0.21
• Log P: -0.21
• Molar Refractivity: 18.1088 cm^3
• Polarizability: 28.066938 Å^3
• Polar Surface Area: 167.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline Powder

Safety Information

• European Hazard Symbols: X
• UN Number: UN3285
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 20/22-36/37
• Safety Statements: 9-26-36
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H331-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P321-P405-P501A

Product Information

• Purity: 99.5% (metals basis)