dimagnesium(2+) ion hydrate {[dioxido({[oxido(oxo)silyl]oxy})silyl]oxy}silanoylolate

• ChemBase ID: 157989
• Molecular Formular: H2Mg2O9Si3
• Molecular Mass: 278.87698
• Monoisotopic Mass: 277.87074464
• SMILES: O.[O-][Si](=O)O[Si]([O-])([O-])O[Si](=O)[O-].[Mg+2].[Mg+2]
• Canonical SMILES: [O-][Si](=O)O[Si](O[Si](=O)[O-])([O-])[O-].O.[Mg+2].[Mg+2]
• InChI: InChI=1S/2Mg.O8Si3.H2O/c;;1-9(2)7-11(5,6)8-10(3)4;/h;;;1H2/q2*+2;-4
• InChIKey: FSBVERYRVPGNGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimagnesium(2+) ion hydrate {[dioxido({[oxido(oxo)silyl]oxy})silyl]oxy}silanoylolate
• IUPAC Traditional name: dimagnesium(2+) ion hydrate {[dioxido({[oxido(oxo)silyl]oxy})silyl]oxy}silanoylolate
• Synonyms: Magnesii trisilicas; di-Magnesium trisilicate; Magnesium trisilicate hydrate; 三硅酸二镁; 三硅酸镁; 三硅酸镁 水合物

Database IDs

• CAS Number: 14987-04-3
• EC Number: 239-076-7
• MDL Number: MFCD16659854
• PubChem SID: 162252125; 24882424
• PubChem CID: 71312620

CALCULATED PROPERTIES

• Acid pKa: 2.6460257
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -8.301858
• LogD (pH = 7.4): -10.275668
• Log P: -2.6712
• Molar Refractivity: 11.3578 cm^3
• Polarizability: 13.029278 Å^3
• Polar Surface Area: 144.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Grade: Ph Eur
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Linear Formula: 2MgO · 3SiO2 · aq