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(2R,3R)-Diethyl 2,3-epoxysuccinate - 96%, high purity , CAS No.74243-85-9
Basic Description
Synonyms
diethyl (r,r)-oxirane-2,3-dicarboxylate | AT30758 | diethyl (2R,3R)-epoxysuccinate | LDFQMMUIJQDSAB-PHDIDXHHSA-N | EN300-19632292 | MFCD18533536 | MFCD00797924 | SCHEMBL2387697 | (2R,3R)-diethyl oxirane-2,3-dicarboxylate | AKOS017343325 | Diethyl-(2R,3R)-
Specifications & Purity
≥96%
Product Description
Description
(2R,3R)-Diethyl 2,3-epoxysuccinate may be used in the preparation of ethyl (2R,3S)-4-hydroxy-2,3-epoxybutyrate via reduction using sodium borohydride
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Epoxides
Subclass
Oxirane carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Oxirane carboxylic acids
Alternative Parents
Dicarboxylic acids and derivatives Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oxirane carboxylic acid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxirane carboxylic acids. These are compounds containing an oxirane ring bearing a carboxylic acid 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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
diethyl (2R,3R)-oxirane-2,3-dicarboxylate
INCHI
InChI=1S/C8H12O5/c1-3-11-7(9)5-6(13-5)8(10)12-4-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey
LDFQMMUIJQDSAB-PHDIDXHHSA-N
Smiles
CCOC(=O)C1C(O1)C(=O)OCC
Isomeric SMILES
CCOC(=O)[C@H]1[C@@H](O1)C(=O)OCC
WGK Germany
3
PubChem CID
2733646
Molecular Weight
188.18
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
188.180 g/mol
XLogP3
0.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
188.068 Da
Monoisotopic Mass
188.068 Da
Topological Polar Surface Area
65.099 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
191.000
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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