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(R)-3-Hydroxy-γ-butyrolactone - Reagent Grade, high purity , CAS No.58081-05-3
Basic Description
Synonyms
AKOS015914146 | SCHEMBL3277293 | (R)-4-Hydroxydihydrofuran-2(3H)-one | (R)-3-Hydroxy-I(3)-butyrolacton | 2(3H)-Furanone, dihydro-4-hydroxy-, (4R)- | (4R)-4-hydroxytetrahydrofuran-2-one | (R)-(+)-.BETA.-HYDROXY-.GAMMA.-BUTYROLACTONE | A831725 | (R)-3-Hydro
Specifications & Purity
Reagent grade
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactones
Subclass
Gamma butyrolactones
Intermediate Tree Nodes
Not available
Direct Parent
Gamma butyrolactones
Alternative Parents
Oxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Gamma butyrolactone - Oxolane - Secondary alcohol - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen 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
(4R)-4-hydroxyoxolan-2-one
INCHI
InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m1/s1
InChIKey
FUDDLSHBRSNCBV-GSVOUGTGSA-N
Smiles
C1C(COC1=O)O
Isomeric SMILES
C1[C@H](COC1=O)O
Molecular Weight
102.09
Reaxy-Rn
107670
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107670&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
102.090 g/mol
XLogP3
-0.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
102.032 Da
Monoisotopic Mass
102.032 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
88.900
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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