Sodium levulinate

C5H7NaO3CAS 19856-23-6138.10 g/mol

Open in Covalent MOL file
OO−ONa+
Carboxylic acidKetone

Properties

Molecular formula
C5H7NaO3
Molar mass
138.10 g/mol
Exact mass
138.0293 Da
logP
0.06Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

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
19856-23-6
SMILES
CC(=O)CCC([O-])=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

4 names
  • Pentanoic acid, 4-oxo-, sodium salt (1:1)
  • Levulinic acid, sodium salt
  • Pentanoic acid, 4-oxo-, sodium salt
  • 4-Oxopentanoic acid sodium salt

Work with Sodium levulinate

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.

Levulinic acid123-76-2Free acid Calcium levulinate591-64-0Salt

Similar compounds

Disodium succinate150-90-368 % similar Sodium succinate hexahydrate6106-21-460 % similar Sodium butyrate156-54-756 % similar Hexane-2,5-dione110-13-455 % similar Disodium sebacate17265-14-454 % similar Sodium valerate6106-41-852 % similar Sodium hexanoate10051-44-250 % similar Disodium α-ketoglutarate305-72-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium 3-methyl-2-oxobutanoate3715-29-5

Elsewhere

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