tetramagnesium(2+) ion magnesiumdiol pentahydrate tetracarbonate

• ChemBase ID: 133963
• Molecular Formular: C4H12Mg5O19
• Molecular Mass: 485.65168
• Monoisotopic Mass: 483.92248666
• SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.O.O.O[Mg]O.[Mg+2].[Mg+2].[Mg+2].[Mg+2]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O[Mg]O.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2].[Mg+2]
• InChI: InChI=1S/4CH2O3.5Mg.7H2O/c4*2-1(3)4;;;;;;;;;;;;/h4*(H2,2,3,4);;;;;;7*1H2/q;;;;5*+2;;;;;;;/p-10
• InChIKey: SXKPPTNZIUYFJR-UHFFFAOYSA-D

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramagnesium(2+) ion magnesiumdiol pentahydrate tetracarbonate
• IUPAC Traditional name: tetramagnesium(2+) ion magnesiumdiol pentahydrate tetracarbonate
• Synonyms: Magnesium carbonate hydroxide pentahydrate; 碱式碳酸镁 五水合物

Database IDs

• CAS Number: 56378-72-4
• EC Number: 235-192-7
• MDL Number: MFCD07371358
• PubChem SID: 24870415; 24897035; 162228240
• PubChem CID: 16211618

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: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.99% trace metals basis
• Impurities: ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter
• Cation Traces: Al: ≤0.01%; Ca: ≤0.5%; Cu: ≤0.0005%; Fe: ≤0.02%; K: ≤0.005%; Na: ≤0.03%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• Antion Traces: chloride (Cl-): ≤0.1%; sulfate (SO42-): ≤0.05%
• Linear Formula: (MgCO3)4 · Mg(OH)2 · 5H2O

DETAILS

Sigma Aldrich - 467480

Packaging
5 g in glass bottle