chempirical

Glyceryl monobehenate

C25H50O4CAS 30233-64-8414.67 g/mol

Open in Covalent MOL file
OOOHOH
AlcoholEster

Properties

Molecular formula
C25H50O4
Molar mass
414.67 g/mol
Exact mass
414.3709 Da
logP
6.70Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
23

Identifiers

CAS number
30233-64-8
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChIKey
OKMWKBLSFKFYGZ-UHFFFAOYSA-N
InChI
InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3

Weigh it out

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

Names and synonyms

24 names · show all
  • Docosanoic acid, monoester with 1,2,3-propanetriol
  • Docosanoic acid, monoester with glycerol
  • Docosanoin, mono-
  • Glycerol monobehenate
  • Monobehenin
  • Behenic monoglyceride
  • Glycerine monobehenate
  • Rikemal B 100
  • Kemester 6500
  • Behenic acid monoglyceride
  • Exceparl G-MB
  • Glycerin monobehenate
  • Poem B 100
  • Sunsoft 8100
  • Compritol E-ATO
  • Dimodan-MB 90
  • B 100
  • Emalsy B 100
  • Glyceryl monodocosanoate
  • Glyceryl behenate
  • B 100A
  • Sunsoft 8100C
  • GM-B
  • Rikemal B 100P

Work with Glyceryl monobehenate

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-Monostearin123-94-4100 % similar 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 1-Monolinolein2277-28-380 % similar

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

Elsewhere

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