chempirical

Propyl (2S)-2-hydroxypropanoate

C6H12O3CAS 53651-69-7132.16 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
logP
0.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
53651-69-7
SMILES
CCCOC(=O)[C@H](C)O
InChIKey
ILVGAIQLOCKNQA-YFKPBYRVSA-N
InChI
InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • Propanoic acid, 2-hydroxy-, propyl ester, (2S)-
  • Propanoic acid, 2-hydroxy-, propyl ester, (S)-
  • Propyl (S)-(-)-lactate
  • Propyl (-)-lactate
  • (-)-n-Propyl lactate

Work with Propyl (2S)-2-hydroxypropanoate

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

Propyl lactate616-09-1100 % similar N-Butyl lactate138-22-779 % similar Butyl (2S)-2-hydroxypropanoate34451-19-979 % similar Ethyl lactate687-47-866 % similar Ethyl lactate97-64-366 % similar Isoamyl lactate19329-89-665 % similar Isobutyl (R)-2-hydroxypropionate61597-96-463 % similar Propyl isobutyrate644-49-562 % similar

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

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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