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Record Information
Version	2.0
Creation Date	2012-07-30 14:54:37 -0600
Update Date	2019-04-18 09:58:58 -0600
Secondary Accession Numbers	ECMDB21099
Identification
Name:	(2R,4S)-2-Methyl-2,4-dihydroxydihydrofuran-3-one
Description	(2r,4s)-2-methyl-2,4-dihydroxydihydrofuran-3-one belongs to the class of Furanones. These are compounds containing a furan ring bearin a ketone group. (inferred from compound structure)
Structure	MOLSDF3D-SDFPDBSMILESInChI View 3D Structure × Structure for #<Compound:0xb2c549fc> Close
Synonyms:	(S)-DHMF pro-AI-2 (vibrio)
Chemical Formula:	C5H8O4
Weight:	Average: 132.1146 Monoisotopic: 132.042258744
InChI Key:	CCVJVKWZZMMBHB-UCORVYFPSA-N
InChI:	InChI=1S/C5H8O4/c1-5(8)4(7)3(6)2-9-5/h3,6,8H,2H2,1H3/t3-,5-/m0/s1
CAS number:	869748-29-8
IUPAC Name:	(2R,4S)-2,4-dihydroxy-2-methyloxolan-3-one
Traditional IUPAC Name:	(2R,4S)-2,4-dihydroxy-2-methyloxolan-3-one
SMILES:	C[C@]1(O)OC[C@H](O)C1=O
Chemical Taxonomy
Description	belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group.
Kingdom	Organic compounds
Super Class	Organoheterocyclic compounds
Class	Dihydrofurans
Sub Class	Furanones
Direct Parent	Furanones
Alternative Parents	Acyloins Tetrahydrofurans Secondary alcohols Hemiacetals Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Substituents	3-furanone Acyloin Tetrahydrofuran Cyclic ketone Secondary alcohol Ketone Hemiacetal Oxacycle Organic oxygen compound Organic oxide Hydrocarbon derivative Organooxygen compound Carbonyl group Alcohol Aliphatic heteromonocyclic compound
Molecular Framework	Aliphatic heteromonocyclic compounds
External Descriptors	diol (CHEBI:71316 ) tetrahydrofuranone (CHEBI:71316 )
Physical Properties
State:	Not Available
Charge:	0
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 922 g/L ALOGPS logP -1.4 ALOGPS logP -0.66 ChemAxon logS 0.84 ALOGPS pKa (Strongest Acidic) 10.46 ChemAxon pKa (Strongest Basic) -3.9 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 66.76 Ų ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 28.33 m³·mol⁻¹ ChemAxon Polarizability 11.76 ų ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	Water + (2R,4S)-2-Methyl-2,4-dihydroxydihydrofuran-3-one > (2R,4S)-2-Methyl-2,3,3,4-tetrahydroxytetrahydrofuran 4,5-Dihydroxy-2,3-pentanedione > (2R,4S)-2-Methyl-2,4-dihydroxydihydrofuran-3-one
SMPDB Pathways:	Quorum Sensing PW000836
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Not Available
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 71316 HMDB ID Not Available Pubchem Compound ID 10240835 Kegg ID Not Available ChemSpider ID 28533529 Wikipedia ID Not Available BioCyc ID Not Available