niobium(5+) ion hexahydrate pentahydrogen oxalate

• ChemBase ID: 303826
• Molecular Formular: C10H17NbO26
• Molecular Mass: 646.13276
• Monoisotopic Mass: 645.90718366
• SMILES: C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.O.O.O.O.O.O.[Nb+5]
• Canonical SMILES: OC(=O)C(=O)[O-].OC(=O)C(=O)[O-].OC(=O)C(=O)[O-].OC(=O)C(=O)[O-].OC(=O)C(=O)[O-].O.O.O.O.O.O.[Nb+5]
• InChI: InChI=1S/5C2H2O4.Nb.6H2O/c5*3-1(4)2(5)6;;;;;;;/h5*(H,3,4)(H,5,6);;6*1H2/q;;;;;+5;;;;;;/p-5
• InChIKey: UKPCVUICGHZUJE-UHFFFAOYSA-I

NAMES AND DATABASE IDS

Names

• IUPAC name: niobium(5+) ion hexahydrate pentahydrogen oxalate
• IUPAC Traditional name: niobium(5+) ion hexahydrate pentahydrogen oxalate
• Synonyms: Niobium(V) oxalate hydrate; 水合草酸铌(V)

Database IDs

• CAS Number: 21348-59-4
• EC Number: 244-341-5
• MDL Number: MFCD00050743

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 25.2757 cm^3
• Polarizability: 5.748779 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: X
• Risk Statements: 21/22
• Safety Statements: 24/25
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280H-P262