(2R)-Tetrahydro-5-oxo-2-furancarboxylic acid

C₅H₆O₄CAS 53558-93-3130.10 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Lactone

Properties

Molecular formula: C₅H₆O₄
Molar mass: 130.10 g/mol
Exact mass: 130.0266 Da
Melting point: 67–70 °C
logP: -0.22Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53558-93-3

SMILES

O=C1CC[C@H](C(=O)O)O1

InChIKey

QVADRSWDTZDDGR-GSVOUGTGSA-N

InChI

InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m1/s1

Weigh it out

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

Names and synonyms

10 names

2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)-
2-Furancarboxylic acid, tetrahydro-5-oxo-, (R)-
(R)-Tetrahydro-5-oxo-2-furancarboxylic acid
(R)-(-)-5-Oxo-2-tetrahydrofurancarboxylic acid
(R)-5-Oxo-2-tetrahydrofurancarboxylic acid
(2R)-Tetrahydro-5-oxofuran-2-carboxylic acid
(R)-5-Oxotetrahydrofuran-2-carboxylic acid
(2R)-5-Oxotetrahydro-2-furancarboxylic acid
(2R)-5-Oxooxolane-2-carboxylic acid
2-Furancarboxylic acid tetrahydro-5-oxo-, (2R)-

Work with (2R)-Tetrahydro-5-oxo-2-furancarboxylic acid

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.

(2S)-5-Oxooxolane-2-carboxylic acid21461-84-7Enantiomer

Similar compounds

L-Glutamic acid 5-cyclohexyl ester112471-82-649 % similar Oxetane-2-carboxylic acid864373-47-748 % similar Tetrahydro-2-furoic acid16874-33-245 % similar (S)-5-Hydroxymethyldihydrofuran-2-one32780-06-645 % similar (R)-(+)-2-Tetrahydrofuroic acid87392-05-045 % similar (2S)-Tetrahydro-2-furancarboxylic acid87392-07-245 % similar 5-Methyl hydrogen L-glutamate1499-55-444 % similar Tetrahydropyran-2-carboxylic acid51673-83-744 % similar

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

Same formula

Glutaconic acid1724-02-3 Monomethyl fumarate2756-87-8 Monomethyl maleate3052-50-4 Citraconic acid498-23-7 Mesaconic acid498-24-8 Methyl 2-formyl-3-oxopropanoate50427-65-1 1,1-Cyclopropanedicarboxylic acid598-10-7

Elsewhere

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