(S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone

Details

• Internal ID: ed53e4ae-ca6e-4d98-b329-5b3c99fff02d
• Taxonomy: Organoheterocyclic compounds > Lactones > Gamma butyrolactones
• IUPAC Name: (5S)-5-(hydroxymethyl)oxolan-2-one
• InChI: InChI=1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m0/s1
• InChI Key: NSISJFFVIMQBRN-BYPYZUCNSA-N
• Popularity: 12 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₈O₃
• Molecular Weight: 116.11 g/mol
• Exact Mass: 116.047344113 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: -0.40

Synonyms

• RefChem:407632
• 680-050-3
• 32780-06-6
• (s)-5-(hydroxymethyl)dihydrofuran-2(3h)-one
• (s)-5-hydroxymethyldihydrofuran-2-one
• (S)-(+)-Dihydro-5-(hydroxymethyl)furanone
• (5S)-5-(hydroxymethyl)oxolan-2-one
• (S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone
• MFCD00066224
• (s)-5-(hydroxymethyl)-dihydrofuran-2(3h)-one
• (S)-(+)-2',3'-Dideoxyribonolactone
• (s)-4-hydroxymethyl butyrolactone
• 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-, (5S)-
• 5-(Hydroxymethyl)dihydro-2(3H)-furanone #
• (S)-5-Hydroxymethyl-2-oxotetrahydrofuran
• (S)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone
• SCHEMBL283689
• BCP23415
• GEO-04229
• AKOS006238373
• AKOS015856120
• AC-6630
• CS-W002306
• FH15398
• (S)-5-hydroxymethyl-dihydro-furan-2-one
• AS-37601
• SY010497
• H0958
• (5S)-5-(hydroxymethyl)tetrahydro-2-furanone
• (5S)-5-(hydroxymethyl)tetrahydrofuran-2-one
• (5S)-5-(hydroxymethyl)-2-oxo-tetrahydrofuran
• (S)-(+)-5-Hydroxymethyltetrahydro-2-furanone
• EN300-257939
• (5S)-5-(hydroxymethyl)dihydrofuran-2(3H)-one
• (5s)-dihydro-5-(hydroxymethyl)-2(3h)-furanone
• (5S)-dihydro-5-(hydroxymethyl)furan-2(3H)-one
• (S)-(+)-dihydro-5-hydroxymethyl-2(3H)furanone
• 780H066
• F040029
• (S)-(+)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone
• (S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone, 95%
• (S)-(+)-5-Hydroxymethyltetrahydro-2-furanone;(S)-(+)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone
• (S)-gamma-Hydroxymethyl-gamma-butyrolactone, (S)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone, (S)-5-Hydroxymethyl-2-oxotetrahydrofuran

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
CHEMBL3137262	O60341	LSD1/CoREST complex	90.22%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.10%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.07%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.62%	95.89%

Plants that contains it

• Ranunculus ternatus

Cross-Links

• PubChem: 2733813
• NPASS: NPC116287