magnesium(2+) ion bis(2-hydroxypropanoate) trihydrate

• ChemBase ID: 107957
• Molecular Formular: C6H16MgO9
• Molecular Mass: 256.49084
• Monoisotopic Mass: 256.06447379
• SMILES: O.O.O.[Mg+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
• Canonical SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.O.O.O.[Mg+2]
• InChI: InChI=1S/2C3H6O3.Mg.3H2O/c2*1-2(4)3(5)6;;;;/h2*2,4H,1H3,(H,5,6);;3*1H2/q;;+2;;;/p-2
• InChIKey: SNLQXUYQWUDJLB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion bis(2-hydroxypropanoate) trihydrate
• IUPAC Traditional name: magnesium(2+) trihydrate dilactate; magnesium(2+) ion trihydrate dilactate
• Synonyms: MAGNESIUM LACTATE; Magnesium lactate trihydrate; Magnesium 2-hydroxypropanoate trihydrate; 三水乳酸镁

Database IDs

• CAS Number: 18917-93-6
• EC Number: 242-671-4
• MDL Number: MFCD00156534
• Merck Index: 145672
• PubChem SID: 162095108
• PubChem CID: 17964493

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 29.6769 cm^3
• Polarizability: 7.4274864 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water, Slightly soluble in alcohol
• Apperance: Powder/Lump
• Melting Point: 41°C dec.

Safety Information

• RTECS: OD5660000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38; R:15-17
• Safety Statements: 26-37; S:7/8
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 95+%; 99%

DETAILS

MP Biomedicals - 05205593

MP Biomedicals Rare Chemical collection