chempirical

Glyceryl tribenzoate

C24H20O6CAS 614-33-5404.42 g/mol

Open in Covalent MOL file
OOOOOO
Ester

Properties

Molecular formula
C24H20O6
Molar mass
404.42 g/mol
Exact mass
404.1260 Da
Melting point
76 °C
logP
3.93Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
8

Identifiers

CAS number
614-33-5
SMILES
O=C(OCC(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1
InChIKey
HIZCTWCPHWUPFU-UHFFFAOYSA-N
InChI
InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2

Weigh it out

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

Names and synonyms

7 names
  • 1,2,3-Propanetriol, 1,2,3-tribenzoate
  • Glycerol, tribenzoate
  • 1,2,3-Propanetriol, tribenzoate
  • Tribenzoin
  • Benzoflex S 404
  • Uniplex 260
  • NSC 2230

Work with Glyceryl tribenzoate

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

Isobutyl benzoate120-50-364 % similar Propyl benzoate2315-68-656 % similar Di-O-benzoyldiethylene glycol120-55-855 % similar Pentaerythrityl tetrabenzoate4196-86-555 % similar Ethyl benzoate93-89-055 % similar Isopropyl benzoate939-48-055 % similar 2-Deoxy-2,2-difluoro-D-erythro-pentonic acid γ-lactone 3,5-dibenzoate122111-01-753 % similar 1,3,5-Tri-O-benzoyl-α-D-ribofuranose22224-41-553 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook