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CQX

Summary
Name:(2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:3-Oxatridecyl-alpha-D-mannopyranoside
Formula:C18 H36 O7
Formal charge:0
Formula weight:364.474 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S},3~{S},4~{S},5~{S},6~{R})-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-23-11-12-24-18-17(22)16(21)15(20)14(13-19)25-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKeyInChI1.03VOSUWWUWOMLIMI-ZBRFXRBCSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCOCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
SMILESCACTVS3.385CCCCCCCCCCOCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCOCCOC1C(C(C(C(O1)CO)O)O)O

218500

PDB entries from 2024-04-17

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