gadolinium(3+) ion triacetate tetrahydrate

• ChemBase ID: 110339
• Molecular Formular: C6H17GdO10
• Molecular Mass: 406.44318
• Monoisotopic Mass: 407.00627474
• SMILES: O.O.O.O.[Gd+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.O.O.O.O.[Gd+3]
• InChI: InChI=1S/3C2H4O2.Gd.4H2O/c3*1-2(3)4;;;;;/h3*1H3,(H,3,4);;4*1H2/q;;;+3;;;;/p-3
• InChIKey: ZPKMIURLGRBLPQ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: gadolinium(3+) ion triacetate tetrahydrate
• IUPAC Traditional name: gadolinium(3+) tris(acetate ion) tetrahydrate
• Synonyms: GADOLINIUM ACETATE

Database IDs

• CAS Number: 15280-53-2
• PubChem SID: 162095841
• PubChem CID: 23371183

CALCULATED PROPERTIES

• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571

PROPERTIES

Product Information

• Purity: 99.9%

DETAILS

MP Biomedicals - 05214603

MP Biomedicals Rare Chemical collection