chempirical

L-Erythrulose

C4H8O4CAS 533-50-6120.10 g/mol

Open in Covalent MOL file
OHOOHOH
AlcoholKetone

Properties

Molecular formula
C4H8O4
Molar mass
120.10 g/mol
Exact mass
120.0423 Da
logP
-2.10Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 23 ECHA notifiers. Aggregated from 23 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
533-50-6
SMILES
O=C(CO)[C@@H](O)CO
InChIKey
UQPHVQVXLPRNCX-VKHMYHEASA-N
InChI
InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 2-Butanone, 1,3,4-trihydroxy-, (3S)-
  • L-Glycero-Tetrulose
  • 2-Butanone, 1,3,4-trihydroxy-, (S)-
  • (3S)-1,3,4-Trihydroxy-2-butanone
  • (3S)-1,3,4-Trihydroxybutan-2-one

Work with L-Erythrulose

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

Ribulose488-84-654 % similar D-Xylulose551-84-854 % similar D-Sorbose3615-56-348 % similar Psicose551-68-848 % similar Fructose57-48-748 % similar L-Fructose7776-48-948 % similar Sorbose87-79-648 % similar D-Tagatose87-81-048 % similar

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

Same formula

Methyl 2-hydroxy-2-methoxyacetate19757-97-2 1,4-Dioxane-2,5-diol23147-58-2 1,4-Dioxane-2,3-diol4845-50-5 Erythrose583-50-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook