niobium(5+) ion pentakis(pentan-1-olate)

• ChemBase ID: 303239
• Molecular Formular: C25H55NbO5
• Molecular Mass: 528.60758
• Monoisotopic Mass: 528.31132786
• SMILES: CCCCC[O-].CCCCC[O-].CCCCC[O-].CCCCC[O-].CCCCC[O-].[Nb+5]
• Canonical SMILES: [O-]CCCCC.[O-]CCCCC.[O-]CCCCC.[O-]CCCCC.[O-]CCCCC.[Nb+5]
• InChI: InChI=1S/5C5H11O.Nb/c5*1-2-3-4-5-6;/h5*2-5H2,1H3;/q5*-1;+5
• InChIKey: VYMYAHWXSIWZMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: niobium(5+) ion pentakis(pentan-1-olate)
• IUPAC Traditional name: niobium(5+) ion pentakis(pentan-1-olate)
• Synonyms: Niobium n-pentyloxide; 戊醇铌

Database IDs

• CAS Number: 105091-67-6
• MDL Number: MFCD00144918

CALCULATED PROPERTIES

• Acid pKa: 16.843948
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2498906
• LogD (pH = 7.4): 1.2498906
• Log P: 1.2498906
• Molar Refractivity: 37.2862 cm^3
• Polarizability: 10.265616 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 99% (metals basis)