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CHEBI:67101 - pentaerythritol propoxylate (5/4 PO/OH)

ChEBI IDCHEBI:67101
ChEBI Namepentaerythritol propoxylate (5/4 PO/OH)
Stars
DefinitionA hydroxypolyether in which a hydroxy-poly(propylene oxide) chain is connected to each of the methyl groups of neopentane. It is commonly used to crystallise proteins. In the diagram, a + b + c + d ~ 5.
Last Modified15 August 2012
SubmitterVincent Fazio
DownloadsMolfile
Formula(C3H6O)a.(C3H6O)b.(C3H6O)c.(C3H6O)d.C5H12O4
Net Charge0
Average Mass368.467
Monoisotopic Mass368.24102
SMILESCC(O)COCC(COCC(C)O)(COCC(C)O)COCC(C)O
InChIInChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3
InChIKeyGXEZGLLPFFKHGE-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 propoxylate (5/4 PO/OH) (CHEBI:67101) has role crystallisation adjutant (CHEBI:63064)
pentaerythritol propoxylate (5/4 PO/OH) (CHEBI:67101) is a hydroxypolyether (CHEBI:46792)