magnesium(2+) ion bis((2S)-2-amino-3-carboxypropanoate)

• ChemBase ID: 133738
• Molecular Formular: C8H12MgN2O8
• Molecular Mass: 288.49448
• Monoisotopic Mass: 288.04440705
• SMILES: C([C@@H](C(=O)[O-])N)C(=O)O.C([C@@H](C(=O)[O-])N)C(=O)O.[Mg+2]
• Canonical SMILES: OC(=O)C[C@@H](C(=O)[O-])N.OC(=O)C[C@@H](C(=O)[O-])N.[Mg+2]
• InChI: InChI=1S/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1
• InChIKey: RXMQCXCANMAVIO-CEOVSRFSSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion bis((2S)-2-amino-3-carboxypropanoate)
• IUPAC Traditional name: magnesium(2+) ion bis((+)-aspartate)
• Synonyms: Magnesium L-aspartate; L-Aspartic acid hemimagnesium salt hydrate; L-Aspartic acid magnesium salt; L-Aspartic acid hemimagnesium salt dihydrate; (S)-氨基丁二酸 半镁盐; L-天冬氨酸 半镁盐 水合物; L-天冬氨酸 半镁盐 二水合物

Database IDs

• CAS Number: 2068-80-6
• EC Number: 218-191-6
• MDL Number: MFCD00044935
• Beilstein Number: 5178578
• PubChem SID: 24847102; 162228015; 24891460
• PubChem CID: 16211203

CALCULATED PROPERTIES

• Acid pKa: 1.7025436
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.018386
• LogD (pH = 7.4): -5.749634
• Log P: -3.5037527
• Molar Refractivity: 37.3698 cm^3
• Polarizability: 10.777578 Å^3
• Polar Surface Area: 103.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Optical Rotation: [α]20/D +20±1°, c = 8% in 6 M HCl

Safety Information

• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: human ... GRIN2A(2903)rat ... GRIN2A(14811)

Product Information

• Purity: ≥98% (TLC); ≥98.0% (KT)
• Linear Formula: [HOOCCH(NH2)CH2COO]2Mg · 2H2O

DETAILS

Sigma Aldrich - A9506

Biochem/physiol Actions
Principal neurotransmitter for fast synaptic excitation.