potassium (2S)-2-amino-3-carboxypropanoate

• ChemBase ID: 133825
• Molecular Formular: C4H6KNO4
• Molecular Mass: 171.19304
• Monoisotopic Mass: 170.99338936
• SMILES: C([C@@H](C(=O)[O-])N)C(=O)O.[K+]
• Canonical SMILES: OC(=O)C[C@@H](C(=O)[O-])N.[K+]
• InChI: InChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1
• InChIKey: TXXVQZSTAVIHFD-DKWTVANSSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (2S)-2-amino-3-carboxypropanoate
• IUPAC Traditional name: potassium (+)-aspartate
• Synonyms: L-Aspartic acid potassium salt; L-天冬氨酸钾; L-天冬氨酸 钾盐

Database IDs

• CAS Number: 1115-63-5
• EC Number: 214-226-4
• PubChem SID: 162228102; 24891105
• PubChem CID: 23672742

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: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: CI9458500
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98% (TLC)

DETAILS

Sigma Aldrich - A6558

Biochem/physiol Actions
快速突触兴奋的主要神经递质。
Application
L-Aspartic acid is an endogenous NMDA receptor agonist.