dipraseodymium(3+) ion hydrate trisulfate

• ChemBase ID: 138040
• Molecular Formular: H2O13Pr2S3
• Molecular Mass: 588.01838
• Monoisotopic Mass: 587.68105712
• SMILES: O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Pr+3].[Pr+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.[Pr+3].[Pr+3]
• InChI: InChI=1S/3H2O4S.H2O.2Pr/c3*1-5(2,3)4;;;/h3*(H2,1,2,3,4);1H2;;/q;;;;2*+3/p-6
• InChIKey: KYTDDRLAQAOSNP-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dipraseodymium(3+) ion hydrate trisulfate
• IUPAC Traditional name: dipraseodymium(3+) ion hydrate trisulfate
• Synonyms: Praseodymium(III) sulfate hydrate; 硫酸镨(III) 水合物

Database IDs

• CAS Number: 20814-03-3
• MDL Number: MFCD00149830
• PubChem SID: 162232299
• PubChem CID: 24212121

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

Safety Information

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

Product Information

• Purity: 99.9%
• Linear Formula: Pr2(SO4)3·xH2O