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(5R)-(Hydroxymethyl-3-[(1R)-1-phenylethyl]-2-oxazolidinone - 97%, high purity , CAS No.480424-73-5
Basic Description
Synonyms
(R)-rel-5-(Hydroxymethyl)-3-((R)-1-phenylethyl)oxazolidin-2-one | SCHEMBL14168243 | MFCD05664243 | (5R)-(Hydroxymethyl-3-[(1R)-1-phenylethyl]-2-oxazolidinone, 97% | AKOS024261860 | DTXSID50352526 | (5R)-5-(HYDROXYMETHYL)-3-[(1R)-1-PHENYLETHYL]OXAZOLIDIN-2
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolidines
Subclass
Oxazolidines
Intermediate Tree Nodes
Not available
Direct Parent
Oxazolidinones
Alternative Parents
Benzene and substituted derivatives Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Oxacycle - Azacycle - Organic oxide - Organopnictogen compound - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxazolidinones. These are compounds containing an oxazolidinone moiety, which is an oxazolidine bearing a ketone group.
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.
Names and Identifiers
IUPAC Name
(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
INCHI
InChI=1S/C12H15NO3/c1-9(10-5-3-2-4-6-10)13-7-11(8-14)16-12(13)15/h2-6,9,11,14H,7-8H2,1H3/t9-,11-/m1/s1
InChIKey
DLSXXQPFKFHRSW-MWLCHTKSSA-N
Smiles
CC(C1=CC=CC=C1)N2CC(OC2=O)CO
Isomeric SMILES
C[C@H](C1=CC=CC=C1)N2C[C@@H](OC2=O)CO
WGK Germany
3
Molecular Weight
221.25
Reaxy-Rn
55896976
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55896976&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
221.250 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
221.105 Da
Monoisotopic Mass
221.105 Da
Topological Polar Surface Area
49.800 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
251.000
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
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