(S)-(-)Hydroxymethyl-3(2H)-furanone

C₅H₆O₃CAS 78508-96-0114.10 g/mol

Open in Covalent MOL file

Alcohol Alkene Ester Lactone

Properties

Molecular formula: C₅H₆O₃
Molar mass: 114.10 g/mol
Exact mass: 114.0317 Da
logP: -0.54Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

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

Identifiers

CAS number

78508-96-0

SMILES

C1=CC(=O)O[C@@H]1CO

InChIKey

AWNLUIGMHSSXHB-BYPYZUCNSA-N

InChI

InChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2/t4-/m0/s1

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Names and synonyms

1 names

(S)-(-)-5-Hydroxymethyl-2(5H)-furanone

Work with (S)-(-)Hydroxymethyl-3(2H)-furanone

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

Similar compounds

2-Furanone497-23-433 % similar (S)-5-Hydroxymethyldihydrofuran-2-one32780-06-632 % similar Glycerol-1,2-carbonate931-40-832 % similar (E)-Ethyl 4,4-dimethoxybut-2-enoate114736-25-332 % similar 2-Deoxy-D-ribono-1,4-lactone34371-14-731 % similar Griffonilide61371-55-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Glutaric anhydride108-55-4 4-Hydroxy-5-methyl-3(2H)-furanone19322-27-1 3-Oxocyclobutanecarboxylic acid23761-23-1 Methyl 4-hydroxybut-2-ynoate31555-05-2 4,5-Dimethyl-1,3-dioxol-2-one37830-90-3 5-Hydroxy-4-methyl-2(5H)-furanone40834-42-2 Methylsuccinic anhydride4100-80-5 Vinylethylene carbonate4427-96-7

Elsewhere

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