(5R,6S)-5,6-Diphenyl-2-morpholinone - ≥98% , CAS No.282735-66-4

CAS: 282735-66-4 Cat. No.: R137154 Molecular Weight: 253.30 EC Number: 682-384-5

GRADE & PURITY ≥98%

Synonyms

MFCD09751026 | Q-101077 | 2-MORPHOLINONE, 5,6-DIPHENYL-, (5R,6S)- | BCP14817 | SC3831 | AMY13705 | (5R,6S)-5,6-Diphenylmorpholin-2-one | A5380 | SCHEMBL249120 | AKOS015901513 | (5R, 6S)-5, 6-diphenyl-2-morpholinone | AC-2422 | AKOS015855466 | LTPOSIZJPSDS

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD09751026 | Q-101077 | 2-MORPHOLINONE, 5, 6-DIPHENYL-, (5R, 6S)- | BCP14817 | SC3831 | AMY13705 | (5R, 6S)-5, 6-Diphenylmorpholin-2-one | A5380 | SCHEMBL249120 | AKOS015901513 | (5R, 6S)-5, 6-diphenyl-2-morpholinone | AC-2422 | AKOS015855466 | LTPOSIZJPSDS

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766298
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766298
• Canonical Smiles: C1C(=O)OC(C(N1)C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: (5R,6S)-5,6-diphenylmorpholin-2-one
• InChIKey: LTPOSIZJPSDSIL-CVEARBPZSA-N
• INCHI: 1S/C16H15NO2/c18-14-11-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2/t15-,16+/m1/s1
• Isomeric SMILES: C1C(=O)O[C@H]([C@H](N1)C2=CC=CC=C2)C3=CC=CC=C3
• Molecular Weight: 253.30
• Reaxy-Rn: 34964365
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34964365&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 Aralkylamines Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Alpha-amino acid ester - Phenylmorpholine - Alpha-amino acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - 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: 253.290 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 253.11 Da
• Monoisotopic Mass: 253.11 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 306.000
• 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