diniobium(5+) ion λ2-lead(2+) ion bis(2-ethylhexanoate) decaethanolate

• ChemBase ID: 303247
• Molecular Formular: C36H80Nb2O14Pb
• Molecular Mass: 1130.02476
• Monoisotopic Mass: 1130.34421524
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Nb+5].[Nb+5].[Pb+2]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[Nb+5].[Nb+5].[Pb+2]
• InChI: InChI=1S/2C8H16O2.10C2H5O.2Nb.Pb/c2*1-3-5-6-7(4-2)8(9)10;10*1-2-3;;;/h2*7H,3-6H2,1-2H3,(H,9,10);10*2H2,1H3;;;/q;;10*-1;2*+5;+2/p-2
• InChIKey: YLBDXTFZUJYEOA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: diniobium(5+) ion λ^2-lead(2+) ion bis(2-ethylhexanoate) decaethanolate
• IUPAC Traditional name: diniobium(5+) ion λ^2-lead(2+) ion decakis(ethoxide) bis(2-ethylhexanoate)
• Synonyms: Lead(II) niobium(V) 2-ethylhexano-ethoxide; Lead(II) niobium(V) 2-ethylhexanoate decaethoxide; 2-乙基己酸十乙醇铌(V)铅(II)

Database IDs

• MDL Number: MFCD00171335

CALCULATED PROPERTIES

• Acid pKa: 5.144522
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2845745
• LogD (pH = 7.4): 0.563084
• Log P: 2.7984512
• Molar Refractivity: 51.0862 cm^3
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T)
• UN Number: UN1170
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 61-62-11-20/22-33-51/53
• Safety Statements: 53-16-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Hazard statements: H225-H360-H373-H302-H332-H411
• GHS Precautionary statements: P210-P273-P201-P308+P313-P501A

Product Information

• Purity: 99% (metals basis), 10% w/v in ethanol