lanthanum(3+) ion triethyl sulfate

• ChemBase ID: 107129
• Molecular Formular: C6H15LaO12S3
• Molecular Mass: 514.2766
• Monoisotopic Mass: 513.87891692
• SMILES: [La+3].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-]
• Canonical SMILES: CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[La+3]
• InChI: InChI=1S/3C2H6O4S.La/c3*1-2-6-7(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3
• InChIKey: ZOIQVLFCKCVMMS-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: lanthanum(3+) ion triethyl sulfate
• IUPAC Traditional name: lanthanum(3+) triethyl sulfate
• Synonyms: LANTHANUM ETHYLSULFATE

Database IDs

• PubChem SID: 162106000
• PubChem CID: 25021824

CALCULATED PROPERTIES

• Acid pKa: -2.082154
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4831793
• LogD (pH = 7.4): -2.4831822
• Log P: -0.106783345
• Molar Refractivity: 21.88 cm^3
• Polarizability: 9.878701 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05202686

MP Biomedicals Rare Chemical collection