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(S)-(−)-5-Hydroxymethyl-2(5H)-furanone - 98%, high purity , CAS No.78508-96-0
Basic Description
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Description
(S)-(−)-5-Hydroxymethyl-2(5H)-furanone can be used as a starting material in the preparation of:Partially saturated heterocycles via a diastereoselective ring chain formation.A natural product named (+)-muscarine.3′-Ethynylthymidine as a possible antiviral agent.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dihydrofurans
Subclass
Furanones
Intermediate Tree Nodes
Not available
Direct Parent
Butenolides
Alternative Parents
Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
2-furanone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organooxygen compound - Primary alcohol - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.
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
(2S)-2-(hydroxymethyl)-2H-furan-5-one
INCHI
InChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2/t4-/m0/s1
InChIKey
AWNLUIGMHSSXHB-BYPYZUCNSA-N
Smiles
C1=CC(=O)OC1CO
Isomeric SMILES
C1=CC(=O)O[C@@H]1CO
WGK Germany
3
PubChem CID
10176122
Molecular Weight
114.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
235.4 °F
Flash Point(°C)
113 °C
Molecular Weight
114.100 g/mol
XLogP3
-0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
114.032 Da
Monoisotopic Mass
114.032 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
128.000
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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