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3-(3'-ISOPROPYL-1-OXOPROPYL)-4(R)-(1-PHENYLMETHYL)-2-OXAZOLIDINONE - ≥97%, high purity , CAS No.163810-26-2

COA

Grade & Purity:

≥97%

Cas Number: 163810-26-2
Molecular Weight: 275.34
PubChem CID: 2759501

In stock

Item Number

O700359

Grouped product items
SKU	Size	Availability	Price	Qty
O700359-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$528.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolidines
    - Subclass Oxazolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolidines
Subclass	Oxazolidines
Intermediate Tree Nodes	Not available
Direct Parent	Oxazolidinones
Alternative Parents	Benzene and substituted derivatives Dicarboximides Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Dicarboximide - Carbamic acid ester - Carbonic acid derivative - Oxacycle - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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
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

Names and Identifiers

IUPAC Name	(4R)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one
INCHI	InChI=1S/C16H21NO3/c1-12(2)8-9-15(18)17-14(11-20-16(17)19)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m1/s1
InChIKey	YYUTVRHBEQTSJS-CQSZACIVSA-N
Smiles	CC(C)CCC(=O)N1C(COC1=O)CC2=CC=CC=C2
Isomeric SMILES	CC(C)CCC(=O)N1[C@@H](COC1=O)CC2=CC=CC=C2
PubChem CID	2759501
Molecular Weight	275.34

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	275.340 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	275.152 Da
Monoisotopic Mass	275.152 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	348.000
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

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