2-aminopentanedioic acid hydrate sodium

• ChemBase ID: 134420
• Molecular Formular: C5H11NNaO5
• Molecular Mass: 188.13431
• Monoisotopic Mass: 188.05349174
• SMILES: C(CC(=O)O)C(C(=O)O)N.O.[Na]
• Canonical SMILES: OC(=O)CCC(C(=O)O)N.O.[Na]
• InChI: InChI=1S/C5H9NO4.Na.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2
• InChIKey: FMGRPEQSMWQKHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopentanedioic acid hydrate sodium
• IUPAC Traditional name: glutaminsaeure hydrate sodium
• Synonyms: Monosodium glutamate; L-Glutamic acid monosodium salt hydrate; (S)-2-Aminopentanedioic acid; L-Glutamic acid monosodium salt; Glu; MSG; L-Glutamic acid 单钠盐 水合物

Database IDs

• CAS Number: 142-47-2(anhydrous)
• EC Number: 205-538-1
• MDL Number: MFCD00013074
• PubChem SID: 24895069; 24895237; 162228696
• PubChem CID: 16219392

CALCULATED PROPERTIES

• Acid pKa: 1.8777773
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -4.4458017
• LogD (pH = 7.4): -6.180975
• Log P: -3.241447
• Molar Refractivity: 31.2877 cm^3
• Polarizability: 12.69048 Å^3
• Polar Surface Area: 100.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white to off-white powder

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 ... GRIK1(2897), GRIK2(2898), GRIK3(2899), GRIK4(2900), GRIN1(2902), GRIN2A(2903), GRIN2B(2904), GRIN2C(2905), GRIN2D(2906), GRIN3A(116443), GRIN3B(116444), GRINA(2907)mouse ... GRIK1(14805), GRIK2(14806), GRIK3(14807), GRIK4(110637), GRIN1(14810), GRIN2A(14811), GRIN2B(14812), GRIN2C(14813), GRIN2D(14814), GRIN3A(242443), GRIN3B(170483), GRINA(66168)rat ... GRIK1(29559), GRIK2(54257), GRIK3(298521), GRIK4(24406), GRIN1(24408), GRIN2A(24409), GRIN2B(24410), GRIN2C(24411), GRIN2D(24412), GRIN3A(191573), GRIN3B(170796), GRINA(266668)

Product Information

• Purity: ≥99%; ≥99% (TLC)
• Suitability: suitable for cell culture; suitable for insect cell culture

DETAILS

Sigma Aldrich - G5889

Biochem/physiol Actions
Agonist at kainate, NMDA, and quisqualate receptors; an excitatory amino acid neurotransmitter.

Sigma Aldrich - G1626

Biochem/physiol Actions
Agonist at kainate, NMDA, and quisqualate receptors; an excitatory amino acid neurotransmitter.