2-amino-5-phosphonopentanoic acid lithium

• ChemBase ID: 133923
• Molecular Formular: C5H12LiNO5P
• Molecular Mass: 204.067241
• Monoisotopic Mass: 204.06131367
• SMILES: [Li].C(CC(C(=O)O)N)CP(=O)(O)O
• Canonical SMILES: OC(=O)C(CCCP(=O)(O)O)N.[Li]
• InChI: InChI=1S/C5H12NO5P.Li/c6-4(5(7)8)2-1-3-12(9,10)11;/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)
• InChIKey: WBZKFOFTBAZHFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-phosphonopentanoic acid lithium
• IUPAC Traditional name: 5-phosphono-DL-norvaline lithium
• Synonyms: DL-2-Amino-5-phosphonopentanoic acid; AP-5; DL-2-Amino-5-phosphonovaleric acid lithium salt; DL-2-氨基-5-膦酰基缬草酸 锂盐

Database IDs

• CAS Number: 125229-62-1
• MDL Number: MFCD00078901
• PubChem SID: 162228200; 24891104
• PubChem CID: 16218948

CALCULATED PROPERTIES

• Acid pKa: 1.6680644
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -5.8741164
• LogD (pH = 7.4): -6.5600853
• Log P: -3.2310975
• Molar Refractivity: 40.5915 cm^3
• Polarizability: 16.462873 Å^3
• Polar Surface Area: 120.85 Å^2
• Rotatable Bonds: 5
• 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

Pharmacology Properties

• Gene Information: rat ... Grik1(29559), Grin2a(24409), Grin2b(24410)

Product Information

• Purity: ~95%

DETAILS

Sigma Aldrich - A6553

Biochem/physiol Actions
Anticonvulsant; potent and selective antagonist for NMDA receptors.