dilanthanum(3+) ion nonahydrate trisulfate

• ChemBase ID: 136761
• Molecular Formular: H18La2O21S3
• Molecular Mass: 728.13632
• Monoisotopic Mass: 727.7629766
• SMILES: O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[La+3].[La+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.[La+3].[La+3]
• InChI: InChI=1S/2La.3H2O4S.9H2O/c;;3*1-5(2,3)4;;;;;;;;;/h;;3*(H2,1,2,3,4);9*1H2/q2*+3;;;;;;;;;;;;/p-6
• InChIKey: HDFVHNGCHRTSJC-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dilanthanum(3+) ion nonahydrate trisulfate
• IUPAC Traditional name: dilanthanum(3+) ion nonahydrate trisulfate
• Synonyms: Lanthanum(III) sulfate nonahydrate; 硫酸镧(III) 九水合物

Database IDs

• CAS Number: 10294-62-9
• EC Number: 233-239-6
• MDL Number: MFCD00149762
• PubChem SID: 24852181; 162231030
• PubChem CID: 71309985

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Density: 2.801 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.999% trace metals basis
• Linear Formula: La2(SO4)3·9H2O