potassium (4S)-4-amino-4-carboxybutanoate hydrate

• ChemBase ID: 134148
• Molecular Formular: C5H10KNO5
• Molecular Mass: 203.2349
• Monoisotopic Mass: 203.01960411
• SMILES: C(CC(=O)[O-])[C@@H](C(=O)O)N.O.[K+]
• Canonical SMILES: [O-]C(=O)CC[C@@H](C(=O)O)N.O.[K+]
• InChI: InChI=1S/C5H9NO4.K.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t3-;;/m0../s1
• InChIKey: XIBUKSQTWSKJMQ-QTNFYWBSSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (4S)-4-amino-4-carboxybutanoate hydrate
• IUPAC Traditional name: potassium (4S)-4-amino-4-carboxybutanoate hydrate
• Synonyms: L-α-Aminoglutaric acid potassium salt; Glu; L-Glutamic acid potassium salt monohydrate; Monopotassium glutamate monohydrate; Potassium L-glutamate; L-Glutamic acid monopotassium salt monohydrate; (S)-2-氨基戊二酸; L-2-氨基戊二酸 钾盐; L-谷氨酸钾; L-谷氨酸 钾盐 一水合物; L-谷氨酸单钾盐单水合物; L-谷氨酸 单钾盐 一水合物

Database IDs

• CAS Number: 6382-01-0
• MDL Number: MFCD00150343
• Beilstein Number: 3637377
• PubChem SID: 24895045; 162228425; 24873010; 24895063
• PubChem CID: 23695977

CALCULATED PROPERTIES

• Acid pKa: 1.8777773
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.4458017
• LogD (pH = 7.4): -6.180975
• Log P: -3.241447
• Molar Refractivity: 42.1248 cm^3
• Polarizability: 12.57248 Å^3
• Polar Surface Area: 103.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white powder
• Melting Point: 115-118°C
• Optical Rotation: [α]20/D +23±1°, c = 5% in 5 M HCl

Safety Information

• RTECS: MA1450000
• German water hazard class: 2
• TSCA Listed: 是
• GHS Hazard statements: H303
• GHS Precautionary statements: P312
• 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% (TLC); ≥99.0%; ≥99.0% (NT)
• Grade: puriss. p.a.
• Suitability: suitable for insect cell culture
• Impurities: ≤0.5% foreign amino acids
• Cation Traces: Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤500 mg/kg; NH4+: ≤200 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; sulfate (SO42-): ≤100 mg/kg
• Linear Formula: KOOCCH2CH2CH(NH2)COOH · H2O

DETAILS

Sigma Aldrich - G1149

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

Sigma Aldrich - G1501

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