(S)-3-Hydroxy-gamma-butyrolactone

Details

• Internal ID: e53e64fe-0235-455f-8be9-63f87eae97ce
• Taxonomy: Organoheterocyclic compounds > Lactones > Gamma butyrolactones
• IUPAC Name: (4S)-4-hydroxyoxolan-2-one
• SMILES (Canonical): C1C(COC1=O)O
• SMILES (Isomeric): C1[C@@H](COC1=O)O
• InChI: InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m0/s1
• InChI Key: FUDDLSHBRSNCBV-VKHMYHEASA-N
• Popularity: 16 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₆O₃
• Molecular Weight: 102.09 g/mol
• Exact Mass: 102.031694049 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: -0.80

Synonyms

• (S)-3-Hydroxy-gamma-butyrolactone
• (S)-4-Hydroxydihydrofuran-2(3H)-one
• (4S)-4-hydroxyoxolan-2-one
• 3-Hydroxybutyrolactone, (3S)-
• (S)-beta-Hydroxy-gamma-butyrolactone
• 2(3H)-Furanone, dihydro-4-hydroxy-, (4S)-
• UNII-2LIE7314JH
• 2LIE7314JH
• EC 434-990-4
• MFCD00211247
• (S)-4-Hydroxytetrahydrofuran-2-one
• (4S)-4-Hydroxydihydrofuran-2(3H)-one
• (S)-(-)-3-Hydroxy-gama-butyro lactone
• (S)-4,5-Dihydro-4-hydroxy-2(3H)-furanone
• (S)-3-hydroxybutyrolactone
• (3s)-3-hydroxybutyrolactone
• SCHEMBL574767
• (S)-4-Hydroxyoxolane-2-one
• (4S)-4-hydroxy-2-oxolanone
• (4S)-4-oxidanyloxolan-2-one
• (S)-3-hydroxy-g-butyrolactone
• AMY4221
• DTXSID60428483
• FUDDLSHBRSNCBV-VKHMYHEASA-N
• (S)-4-Hydroxy-dihydro-furan-2-one
• GEO-03952
• AKOS016842346
• 3-HYDROXYBUTYROLACTONE, (-)-
• CS-W013702
• (|S|)-beta-Hydroxy-gamma-butyrolactone
• (4S)-4-Hydroxydihydro-2(3H)-furanone
• (S)-(-)-?-Hydroxy-gamma-butyrolactone
• AC-13891
• (S)- beta -Hydroxy- gamma -butyrolactone
• (S)-beta-Hydroxy-gamma-butyrolactone, 96%
• (S)-3-HYDROXY-.GAMMA.-BUTYROLACTONE
• H0939
• EN300-102216
• H11711
• (S)-.BETA.-HYDROXY-.GAMMA.-BUTYROLACTONE
• A837785
• Q27254893
• (S)-(-)-.BETA.-HYDROXY-.GAMMA.-BUTYROLACTONE
• BUTYRIC ACID, 3,4-DIHYDROXY-, .GAMMA.-LACTONE, D-GLYCERO-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.94%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.16%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.08%	97.09%

Plants that contains it

• Homalomena occulta

Cross-Links

• PubChem: 7269389
• NPASS: NPC135987
• LOTUS: LTS0017495
• wikiData: Q27254893