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BNG

Summary
Name:nonyl beta-D-glucopyranoside
Synonyms:Beta-NONYLGLUCOSIDE
nonyl beta-D-glucoside; nonyl D-glucoside; nonyl glucoside
Formula:C15 H30 O6
Formal charge:0
Formula weight:306.395 Da
Component type:D-saccharide

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCCCCCCCC)C1OC(C(O)C(O)C1O)CO
SMILES_CANONICALCACTVS3.341CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.341CCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChIInChI1.03InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
InChIKeyInChI1.03QFAPUKLCALRPLH-UXXRCYHCSA-N

227561

PDB entries from 2024-11-20

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