chempirical

Glyceryl behenate

C25H52O5CAS 77538-19-3432.69 g/mol

Open in Covalent MOL file
OOHHOOHOH
AlcoholCarboxylic acid

Properties

Molecular formula
C25H52O5
Molar mass
432.69 g/mol
Exact mass
432.3815 Da
logP
6.22Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
22

Identifiers

CAS number
77538-19-3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O.OCC(O)CO
InChIKey
BYNVYIUJKRRNNC-UHFFFAOYSA-N
InChI
InChI=1S/C22H44O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;4-1-3(6)2-5/h2-21H2,1H3,(H,23,24);3-6H,1-2H2

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Names and synonyms

13 names · show all
  • Docosanoic acid, ester with 1,2,3-propanetriol
  • Glycerol behenate
  • Rikemal B 200
  • Glycerin behenate
  • Docosanoin
  • Poem B 200
  • Speziol GDB pharma
  • Kolliwax GDB
  • Glycerin docosanoate
  • Compritol 888CG
  • Compritol 888CG-ATO
  • Sunsoft 8100CK
  • Speziol GDB

Work with Glyceryl behenate

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

Glyceryl stearate11099-07-3100 % similar Glyceryl caprylate caprate65381-09-1100 % similar 12-Hydroxystearic acid36377-33-074 % similar Enanthic acid111-14-870 % similar Pelargonic acid112-05-070 % similar Undecylic acid112-37-870 % similar Behenic acid112-85-670 % similar Caprylic acid124-07-270 % similar

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

Elsewhere

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