sodium 5-oxo-L-prolinate - Oily 50% , CAS No.28874-51-3

CAS: 28874-51-3 Cat. No.: L303332 Molecular Weight: 151.09 EC Number: 249-277-1

GRADE & PURITY Oily 50%

Synonyms

Sodium pidolate | Sodium 5-oxo-L-prolinate | Sodium pyroglutamate | sodium;(2S)-5-oxopyrrolidine-2-carboxylate | Sodium (S)-5-oxopyrrolidine-2-carboxylate | Sodium L-pyroglutamate | L-Proline, 5-oxo-, monosodium salt | Proline, 5-oxo-, monosodium salt

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

Sodium pidolate | Sodium 5-oxo-L-prolinate | Sodium pyroglutamate | sodium;(2S)-5-oxopyrrolidine-2-carboxylate | Sodium (S)-5-oxopyrrolidine-2-carboxylate | Sodium L-pyroglutamate | L-Proline, 5-oxo-, monosodium salt | Proline, 5-oxo-, monosodium salt

Specifications & Purity

Oily 50%

Storage

Room temperature, Desiccated

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488200437
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200437
• Canonical Smiles: C1CC(=O)NC1C(=O)[O-].[Na+]
• IUPAC Name: sodium;(2S)-5-oxopyrrolidine-2-carboxylate
• InChIKey: CRPCXAMJWCDHFM-DFWYDOINSA-M
• INCHI: 1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1
• Isomeric SMILES: C1CC(=O)N[C@@H]1C(=O)[O-].[Na+]
• Molecular Weight: 151.09
• Reaxy-Rn: 4038222
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4038222&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Oxoprolines Pyrrolidine-2-ones Secondary carboxylic acid amides Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic sodium salt - Organic salt - Organic zwitterion - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Flash Point(°C): 227.8°C
• Boil Point(°C): 453.1°C
• Melt Point(°C): 125°C
• Molecular Weight: 151.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.025 Da
• Monoisotopic Mass: 151.025 Da
• Topological Polar Surface Area: 69.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 159.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Runqiu Wu, Bendong Liu, Dongkun Yu, Hongye Qin, Jiahui Yang, Haibin Liu, Guohua Gao.  (2025)  High-Thermopower Thermogalvanic Ionic Hydrogel for Efficient Low-Grade Heat Energy Harvesting in Electronic Devices.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c02573]