tetramagnesium(2+) ion bis(magnesiumdiol) pentahydrate tetracarbonate

• ChemBase ID: 103900
• Molecular Formular: C4H14Mg6O21
• Molecular Mass: 543.97136
• Monoisotopic Mass: 541.91300767
• SMILES: O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2].[Mg+2].O[Mg]O.O[Mg]O.[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O[Mg]O.O[Mg]O.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2].[Mg+2]
• InChI: InChI=1S/4CH2O3.6Mg.9H2O/c4*2-1(3)4;;;;;;;;;;;;;;;/h4*(H2,2,3,4);;;;;;;9*1H2/q;;;;6*+2;;;;;;;;;/p-12
• InChIKey: JTYFUTGCRKGGGD-UHFFFAOYSA-B

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramagnesium(2+) ion bis(magnesiumdiol) pentahydrate tetracarbonate
• IUPAC Traditional name: tetramagnesium(2+) bis(magnesiumdiol) pentahydrate tetraCO3
• Synonyms: MAGNESIUM CARBONATE

Database IDs

• CAS Number: 56378-72-4
• PubChem SID: 162090966
• PubChem CID: 44134808

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02153498

Pentahydrate
Crystalline