Logo Anses
Logo Interreg

4-acetyl-2-hydroxy-3-methyltetrahydrofuran

  • Formula: C7H12O3

  • Molecular weight: 144.17

  • Smiles: CC1C(COC1O)C(=O)C

Download

4-acetyl-2-hydroxy-3-methyltetrahydrofuran

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: 4-acetyl-2-hydroxy-3-methyltetrahydrofuran

  • First synonym: None

  • Synonyms: Botryodiplodin,27098-03-9,Cytostipin,Antibiotic PSX 1,Botrydiplodin,Botryodipolodin,BOTYRODIPLODIN,1-(5-hydroxy-4-methyloxolan-3-yl)ethanone,Ethanone, 1-(tetrahydro-5-hydroxy-4-methyl-3-furanyl)-,2-Hydroxy-3-methyl-4-acetyltetrahydrofuran,NSC 114342,UNII-5G35Q22R8M,BRN 2935786,113531-94-5,2-Hydroxy-3-methyl-4-acetyltetrahydrofurane,Methyltetrahydro-5-hydroxy-4-methyl-3-furyl-ketone,PSX 1,1-(Tetrahydro-5-hydroxy-4-methyl-3-furanyl)ethanone,BOTRYODIPLODIN (SYNTHETIC),5G35Q22R8M,NSC157390,NSC-114342,NSC-157390,KETONE, METHYL TETRAHYDRO-5-HYDROXY-4-METHYL-3-FURYL,1-(5-Hydroxy-4-methyltetrahydrofuran-3-yl)ethanone,1-(Tetrahydro-5-hydroxy-4-methyl-3-furanyl)-Ethanone,1-(5-Hydroxy-4-methyltetrahydrofuran-3-yl)ethan-1-one,1-(Tetrahydro-5-hydroxy-4-methyl-3-furanyl)ethanone, 9CI,starbld0006471,1-(5-hydroxy-4-methyloxolan-3-yl)ethan-1-one,CHEMBL2007203,SCHEMBL11573930,CHEBI:168857,NSC114342,AKOS006280158,NCI60_001142,4-Acetyl-2-hydroxy-3-methyltetrahydrofuran,DB-276181,DS-007617,Q15410293,Ethanone, 1-(tetrahydro-5-hydroxy-4-methyl-3-furanyl)-(9CI),Ethanone,1-[(3s,4r)-tetrahydro-5-hydroxy-4-methyl-3-furanyl]-,Ethanone, 1-((3R,4S,5S)-tetrahydro-5-hydroxy-4-methyl-3-furanyl)-,151378-29-9

Identifiers / External links

Structure

  • Smiles: CC1C(COC1O)C(=O)C

  • Isomeric smiles: CC1C(COC1O)C(=O)C

  • Inchi: InChI=1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4,6-7,9H,3H2,1-2H3

  • Inchikey: CLYSZQBIUYRLNX-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C7H12O3

  • Molecular weight: 144.17

  • Monoisotopic mass: 144.078644241

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi