magnesium(2+) ion 3-(phosphonatooxy)propane-1,2-diol hydrate

• ChemBase ID: 155832
• Molecular Formular: C3H9MgO7P
• Molecular Mass: 212.378121
• Monoisotopic Mass: 211.99363096
• SMILES: C(C(COP(=O)([O-])[O-])O)O.O.[Mg+2]
• Canonical SMILES: OCC(COP(=O)([O-])[O-])O.O.[Mg+2]
• InChI: InChI=1S/C3H9O6P.Mg.H2O/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;1H2/q;+2;/p-2
• InChIKey: GLZHYLKPDLVZKJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion 3-(phosphonatooxy)propane-1,2-diol hydrate
• IUPAC Traditional name: magnesium(2+) ion glycerol 1-phosphate hydrate
• Synonyms: rac-Glycero-3-phosphate magnesium salt; Magnesium glycerophosphate; DL-α-Glycerol phosphate magnesium salt hydrate

Database IDs

• CAS Number: 927-20-8
• EC Number: 213-149-3
• MDL Number: MFCD00153014
• PubChem SID: 24850376; 162249970
• PubChem CID: 23455454

CALCULATED PROPERTIES

• Acid pKa: 1.5077547
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.366909
• LogD (pH = 7.4): -5.247459
• Log P: -1.9625801
• Molar Refractivity: 29.1456 cm^3
• Polarizability: 12.625253 Å^3
• Polar Surface Area: 112.88 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

• Purity: ~85% (KT)
• Quality Level: PREMIUM
• Empirical Formula (Hill Notation): C3H7MgO6P · xH2O

DETAILS

Sigma Aldrich - 17766

Application
DL-α-Glycerol phosphate is a racemic mixture of the D- and L-glycerophosphate enantiomers. DL-α-Glycerol phosphate may be used to assess the lysogenic-strain features of agalactiae bacteriophages.