(2S,3R)-(+)-N-Z-6-oxo-2,3-diphenylmorpholine - ≥98%(HPLC) , CAS No.105228-46-4

CAS: 105228-46-4 Cat. No.: I132598 Molecular Weight: 387.43 EC Number: 620-833-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

(2S,3R)-Benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate | (2S,3R)-benzyl 6-oxo-2,3- diphenylmorpholine-4-carboxylate | (2S,3R)-(+)-N-Z-6-oxo-2,3-diphenylmorpholine | 4-Morpholinecarboxylic acid,6-oxo-2,3-diphenyl-,phenylMethyl ester,(2S,3R)- | MFCD00074

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(2S, 3R)-Benzyl 6-oxo-2, 3-diphenylmorpholine-4-carboxylate | (2S, 3R)-benzyl 6-oxo-2, 3- diphenylmorpholine-4-carboxylate | (2S, 3R)-(+)-N-Z-6-oxo-2, 3-diphenylmorpholine | 4-Morpholinecarboxylic acid, 6-oxo-2, 3-diphenyl-, phenylMethyl ester, (2S, 3R)- | MFCD00074

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504760352
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760352
• Canonical Smiles: C1C(=O)OC(C(N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
• InChIKey: HECRUWTZAMPQOS-PKTZIBPZSA-N
• INCHI: 1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m1/s1
• Isomeric SMILES: C1C(=O)O[C@H]([C@H](N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• WGK Germany: 3
• Molecular Weight: 387.43
• Reaxy-Rn: 40910794
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40910794&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alpha amino acid esters Phenylmorpholines Benzyloxycarbonyls Morpholine carboxylic acids Carbamate esters Organic carbonic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Alpha-amino acid ester - Phenylmorpholine - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Morpholine-4-carboxylic acid - Morpholine-4-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Carbamic acid ester - Carboxylic acid ester - Lactone - Carbonic acid derivative - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• Molecular Weight: 387.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 387.147 Da
• Monoisotopic Mass: 387.147 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 547.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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