dierbium(3+) ion hydrate trisulfate

• ChemBase ID: 138582
• Molecular Formular: Er2H2O13S3
• Molecular Mass: 640.72108
• Monoisotopic Mass: 637.72633912
• SMILES: O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Er+3].[Er+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.[Er+3].[Er+3]
• InChI: InChI=1S/2Er.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6
• InChIKey: WGMWBQQHHXYLMK-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dierbium(3+) ion hydrate trisulfate
• IUPAC Traditional name: dierbium(3+) ion hydrate trisulfate
• Synonyms: Erbium(III) sulfate hydrate; 硫酸铒(III) 水合物

Database IDs

• CAS Number: 20814-10-2
• EC Number: 236-779-0
• MDL Number: MFCD00149695
• PubChem SID: 24859521; 162232835
• PubChem CID: 16212054

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

Safety Information

• German water hazard class: 3

Product Information

• Purity: 99.9% trace metals basis
• Compostion: Degree of hydration, ≤8
• Linear Formula: Er2(SO4)3·xH2O