(R)-(+)-3-Hydroxybutyrolactone

C4H6O3CAS 58081-05-3102.09 g/mol

Open in Covalent MOL file
OOOH
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
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
58081-05-3
SMILES
C1[C@H](COC1=O)O
InChIKey
FUDDLSHBRSNCBV-GSVOUGTGSA-N
InChI
InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 3-Hydroxybutyrolactone, (3R)-

Work with (R)-(+)-3-Hydroxybutyrolactone

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.

(S)-3-Hydroxybutyrolactone7331-52-4Enantiomer 3,4-Dihydroxybutanoic acid gamma-lactone5469-16-9Stereo not defined

Similar compounds

1,3-Dipropanoylglycerol18373-31-459 % similar Diethyl 3-hydroxyglutarate32328-03-359 % similar (±)-Ethyl 3-hydroxyhexanoate2305-25-155 % similar 1,5-Dimethyl 3-hydroxypentanedioate7250-55-752 % similar Glyceryl monothioglycolate30618-84-952 % similar Ethyl 4-chloro-3-hydroxybutyrate10488-69-450 % similar Ethyl (3S)-4-chloro-3-hydroxybutanoate86728-85-050 % similar Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate90866-33-450 % 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 α-Hydroxy-γ-butyrolactone19444-84-9 Trimethylene carbonate2453-03-4

Elsewhere

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