digadolinium(3+) ion octahydrate trisulfate

• ChemBase ID: 109386
• Molecular Formular: Gd2H16O20S3
• Molecular Mass: 746.81004
• Monoisotopic Mass: 747.78791191
• SMILES: O.O.O.O.O.O.O.O.[Gd+3].[Gd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• 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.[Gd+3].[Gd+3]
• InChI: InChI=1S/2Gd.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2/q2*+3;;;;;;;;;;;/p-6
• InChIKey: JBFCVGZGWFIPNK-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: digadolinium(3+) ion octahydrate trisulfate
• IUPAC Traditional name: digadolinium(3+) octahydrate trisulfate; digadolinium(3+) ion octahydrate trisulfate
• Synonyms: GADOLINIUM SULFATE; Gadolinium(III) sulfate octahydrate; Gadolinium(III) sulfate octahydrate, REacton®; 硫酸钆(III) 八水合物; 硫酸钆(III)八水合物, REacton®

Database IDs

• CAS Number: 13450-87-8
• EC Number: 237-115-2
• MDL Number: MFCD00149734
• Merck Index: 144326
• PubChem SID: 162096243; 24852162
• PubChem CID: 16211473

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

• Solubility: Soluble in cold water
• Apperance: Crystalline Aggregates; solid
• Density: 3.01 g/mL at 25 °C(lit.); 4.139

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.99% trace metals basis; 99.9%; 99.9% (REO)
• Linear Formula: Gd2(SO4)3 · 8H2O

DETAILS

MP Biomedicals - 05210850

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 203300

Packaging
10 g in poly bottle