(S)-(-)-Alpha-hydroxy-gamma-butyrolactone

C4H6O3CAS 52079-23-9102.09 g/mol

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OOHO
AlcoholEsterLactone

Properties

Molecular formula
C4H6O3
Molar mass
102.09 g/mol
Exact mass
102.0317 Da
logP
-0.71Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
52079-23-9
SMILES
C1COC(=O)[C@H]1O
InChIKey
FWIBCWKHNZBDLS-VKHMYHEASA-N
InChI
InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2/t3-/m0/s1

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Names and synonyms

1 names
  • 2-Hydroxy-gamma-butyrolactone, (2S)-

Work with (S)-(-)-Alpha-hydroxy-gamma-butyrolactone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-(+)-Alpha-hydroxy-gamma-butyrolactone56881-90-4Enantiomer α-Hydroxy-γ-butyrolactone19444-84-9Stereo not defined

Similar compounds

Butyl (2S)-2-hydroxybutanoate132513-51-050 % similar Isoamyl lactate19329-89-648 % similar 2-Bromo-4-butyrolactone5061-21-248 % similar (R)-(+)-Alpha-amino-gamma-butyrolactone hydrochloride104347-13-943 % similar 3S-3-Aminodihydrofuran-2(3H)-one hydrobromide15295-77-943 % similar Isoamyl isobutyrate2050-01-343 % similar (3S)-3-Aminodihydro-2(3H)-furanone hydrochloride2185-03-743 % similar 2-Acetylbutyrolactone517-23-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetic anhydride108-24-7 Propylene carbonate108-32-7 Methyl (2R)-2-oxiranecarboxylate111058-32-3 3-Oxetanecarboxylic acid114012-41-8 (4R)-4-Methyl-1,3-dioxolan-2-one16606-55-6 1-Hydroxy-1-cyclopropanecarboxylic acid17994-25-1 Trimethylene carbonate2453-03-4

Elsewhere

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