Sodium α-hydroxybutyrate

C4H7NaO3CAS 5094-24-6126.09 g/mol

Open in Covalent MOL file
OHO−ONa+
AlcoholCarboxylic acid

Properties

Molecular formula
C4H7NaO3
Molar mass
126.09 g/mol
Exact mass
126.0293 Da
Boiling point
108 °C
logP
-0.54Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

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
5094-24-6
SMILES
CCC(O)C([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.

Weigh it out

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

Names and synonyms

12 names
  • Butanoic acid, 2-hydroxy-, sodium salt (1:1)
  • Butyric acid, 2-hydroxy-, monosodium salt
  • Butanoic acid, 2-hydroxy-, monosodium salt
  • Sodium 2-hydroxybutyrate
  • 2-Hydroxybutyric acid sodium salt
  • Sodium 2-hydroxybutanoate
  • Butyric acid, 2-hydroxy-, monosodium salt, DL-
  • DL-α-Hydroxybutyric acid sodium salt
  • Butanoic acid, 2-hydroxy-, monosodium salt, (±)-
  • Sodium (±)-2-hydroxybutyrate
  • 2-Hydroxybutanoic acid sodium salt
  • Sodium (DL)-α-hydroxybutyrate

Work with Sodium α-hydroxybutyrate

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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)-2-Hydroxybutyric acid3347-90-8Free acid, defined stereoisomer

Similar compounds

L-Hydroxysuccinic acid disodium salt138-09-058 % similar Sodium malate22798-10-358 % similar Sodium malate676-46-058 % similar Pentanedioic acid, 2-hydroxy-, sodium salt (1:2), (2R)-103404-90-655 % similar Sodium lactate312-85-650 % similar 4-Hydroxy-3-hexanone4984-85-450 % similar Sodium lactate72-17-350 % similar Sodium L-lactate867-56-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium 3-hydroxybutyrate150-83-4 Sodium 3-hydroxybutyrate306-31-0 Gamma OH502-85-2

Elsewhere

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