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BOG

Summary
Name:octyl beta-D-glucopyranoside
Synonyms:Beta-Octylglucoside
octyl beta-D-glucoside; octyl D-glucoside; octyl glucoside
Formula:C14 H28 O6
Formal charge:0
Formula weight:292.369 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04octyl beta-D-glucopyranoside
OpenEye OEToolkits1.5.0(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxy-oxane-3,4,5-triol
PDB-CARE1.0b-octylglucoside

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
SMILES_CANONICALCACTVS3.341CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.341CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChIInChI1.03InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyInChI1.03HEGSGKPQLMEBJL-RKQHYHRCSA-N

217705

PDB entries from 2024-03-27

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