4-amino-5-oxo-5-(sodiooxy)pentanoic acid

• ChemBase ID: 137502
• Molecular Formular: C5H8NNaO4
• Molecular Mass: 169.11109
• Monoisotopic Mass: 169.03510202
• SMILES: C(CC(=O)O)C(C(=O)O[Na])N
• Canonical SMILES: NC(C(=O)O[Na])CCC(=O)O
• InChI: InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1
• InChIKey: LPUQAYUQRXPFSQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-5-oxo-5-(sodiooxy)pentanoic acid
• IUPAC Traditional name: 4-amino-5-oxo-5-(sodiooxy)pentanoic acid
• Synonyms: Poly-L-glutamic acid sodium salt; Poly-D-glutamic acid sodium salt; 聚-L-谷氨酸 钠盐; 聚-D-谷氨酸 钠盐

Database IDs

• CAS Number: 30811-79-1; 26247-79-0
• MDL Number: MFCD00081868
• PubChem SID: 162231764
• PubChem CID: 23677676

CALCULATED PROPERTIES

• Acid pKa: 3.2983515
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.401961
• LogD (pH = 7.4): -3.6177669
• Log P: -3.403682
• Molar Refractivity: 30.3601 cm^3
• Polarizability: 14.584113 Å^3
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Mol. Weight: average Mv 2,000-15,000