$l^{2}-lead(2+) ion bis(12-hydroxyoctadecanoate)

• ChemBase ID: 111981
• Molecular Formular: C36H70O6Pb
• Molecular Mass: 806.1374
• Monoisotopic Mass: 806.49389196
• SMILES: [Pb+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.[Pb+2]
• InChI: InChI=1S/2C18H36O3.Pb/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2
• InChIKey: OZHGKMQTUUYMRS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{2}-lead(2+) ion bis(12-hydroxyoctadecanoate)
• IUPAC Traditional name: $l^{2}-lead(2+) ion bis(12-hydroxyoctadecanoate)
• Synonyms: LEAD-12-HYDROXY STEARATE PRACTICAL GRADE

Database IDs

• CAS Number: 58405-97-3
• PubChem SID: 162097435
• PubChem CID: 94039

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.103196
• LogD (pH = 7.4): 3.3440611
• Log P: 5.7590017
• Molar Refractivity: 98.7922 cm^3
• Polarizability: 34.90064 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 32
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Grade: PRACTICAL

DETAILS

MP Biomedicals - 05222035

MP Biomedicals Rare Chemical collection