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XKJ

Summary
Name:dodecyl beta-D-glucopyranoside
Formula:C18 H36 O6
Formal charge:0
Formula weight:348.475 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01dodecyl beta-D-glucopyranoside
OpenEye OEToolkits2.0.7(2~{R},3~{R},4~{S},5~{S},6~{R})-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(O)C1C(C(O)C(C(O1)OCCCCCCCCCCCC)O)O
InChIInChI1.03InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1
InChIKeyInChI1.03PYIDGJJWBIBVIA-UYTYNIKBSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.385CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O

221716

PDB entries from 2024-06-26

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