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CHEBI:63049 - pentaerythritol ethoxylate (3/4 EO/OH)

ChEBI IDCHEBI:63049
ChEBI Namepentaerythritol ethoxylate (3/4 EO/OH)
Stars
DefinitionA hydroxypolyether in which a hydroxy-poly(ethylene oxide) chain is connected to each of the methyl groups of neopentane. It is commonly used to crystallise proteins.
Last Modified31 October 2011
SubmitterVincent Fazio
DownloadsMolfile
Formula(C2H4O)a.(C2H4O)b.(C2H4O)c.(C2H4O)d.C5H12O4
Net Charge0
Average Mass312.359
Monoisotopic Mass312.17842
SMILESOCCOCC(COCCO)(COCCO)COCCO
InChIInChI=1S/C13H28O8/c14-1-5-18-9-13(10-19-6-2-15,11-20-7-3-16)12-21-8-4-17/h14-17H,1-12H2
InChIKeyRRQXXKCYECDESZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
crystallisation adjutant  Chemical role played by a material when used to promote crystallisation.
ChEBI Ontology
Outgoing Relation(s)
pentaerythritol ethoxylate (3/4 EO/OH) (CHEBI:63049) has role crystallisation adjutant (CHEBI:63064)
pentaerythritol ethoxylate (3/4 EO/OH) (CHEBI:63049) is a hydroxypolyether (CHEBI:46792)
Registry NumbersSources
CAS:30599-15-6SUBMITTER