chempirical

1-Monostearin

C21H42O4CAS 123-94-4358.56 g/mol

Open in Covalent MOL file
OOOHOH
AlcoholEster

Properties

Molecular formula
C21H42O4
Molar mass
358.56 g/mol
Exact mass
358.3083 Da
Density
0.9678 g/mL (at 20 °C)
Melting point
40.5 °C
logP
5.14Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
19

Identifiers

CAS number
123-94-4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
InChIKey
VBICKXHEKHSIBG-UHFFFAOYSA-N
InChI
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3

Weigh it out

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

Names and synonyms

30 names · show all
  • Octadecanoic acid, 2,3-dihydroxypropyl ester
  • Stearin, 1-mono-
  • Aldo 33
  • Aldo 75
  • Glycerol α-monostearate
  • α-Monostearin
  • Stearic acid 1-monoglyceride
  • Glycerin 1-monostearate
  • 1-Monostearoylglycerol
  • Glycerol 1-monostearate
  • Glyceryl 1-monostearate
  • Sandin EU
  • Glycerin 1-stearate
  • 1-Glyceryl stearate
  • Tegin 55G
  • Emerest 2407
  • Aldo MSD
  • Aldo MSLG
  • Glycerol 1-stearate
  • Stearic acid α-monoglyceride
  • 3-Stearoyloxy-1,2-propanediol
  • 1-Monooctadecanoylglycerol
  • 2,3-Dihydroxypropyl octadecanoate
  • (±)-2,3-Dihydroxypropyl octadecanoate
  • 1-Monostearoyl-rac-glycerol
  • Glyceryl 1-octadecanoate
  • NSC 3875
  • AS 8 (surfactant)
  • 2,3-Dihydroxypropyl stearate
  • 1-Stearoyl-rac-glycerol

Work with 1-Monostearin

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

1-Monolaurin142-18-7100 % similar 1-Monopalmitin19670-51-0100 % similar 1-Monolaurin40738-26-9100 % similar 1-Monopalmitin542-44-9100 % similar 1-Monomyristin589-68-4100 % similar 1-Monomyristin75685-84-6100 % similar Glycerol 1-monooleate111-03-586 % similar 1-Monolinolein2277-28-380 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook