(S)-4-Benzyloxazolidine-2,5-dione - ≥97% , CAS No.14825-82-2

CAS: 14825-82-2 Cat. No.: L191023 Molecular Weight: 191.18 EC Number: 882-609-9

GRADE & PURITY ≥97%

Synonyms

AKOS016842799 | GQBIVYSGPXCELZ-QMMMGPOBSA-N | MFCD03411306 | EN300-7378475 | DTXSID50542763 | Phe-NCA | J-008454 | L-Phenylalanine N-carboxyanhydride | F10647 | (S)-4-(Phenylmethyl)-2,5-oxazolidinedione | (4S)-4-Benzyl-1,3-oxazolidine-2,5-dione | SCHEMBL1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS016842799 | GQBIVYSGPXCELZ-QMMMGPOBSA-N | MFCD03411306 | EN300-7378475 | DTXSID50542763 | Phe-NCA | J-008454 | L-Phenylalanine N-carboxyanhydride | F10647 | (S)-4-(Phenylmethyl)-2, 5-oxazolidinedione | (4S)-4-Benzyl-1, 3-oxazolidine-2, 5-dione | SCHEMBL1

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767424
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767424
• Canonical Smiles: C1=CC=C(C=C1)CC2C(=O)OC(=O)N2
• IUPAC Name: (4S)-4-benzyl-1,3-oxazolidine-2,5-dione
• InChIKey: GQBIVYSGPXCELZ-QMMMGPOBSA-N
• INCHI: 1S/C10H9NO3/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,13)/t8-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C[C@H]2C(=O)OC(=O)N2
• Molecular Weight: 191.18
• Reaxy-Rn: 83260
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=83260&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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Oxazolidinones Benzene and substituted derivatives Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Oxazolidine - Carbonic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 191.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.058 Da
• Monoisotopic Mass: 191.058 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 246.000
• 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: 1

References

1. Gang Zhao, Guanghua Lu, Huizhen Fan, Li Wei, Qiang Yu, Ming Li, Hanqing Li, Nuo Yu, Shen Wang, Min Lu.  (2024)  Herbal Products-Powered Thermosensitive Hydrogel with Phototherapy and Microenvironment Reconstruction for Accelerating Multidrug-Resistant Bacteria-Infected Wound Healing.  Advanced Healthcare Materials,      [PMID:38416676] [10.1002/adhm.202400049]