BQY

2-methoxyphenyl beta-D-galactopyranoside

Created:2017-08-23
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count5
Bond Count39
Aromatic Bond Count6
2D diagram of BQY

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Chemical Component Summary

Name2-methoxyphenyl beta-D-galactopyranoside
Synonymso-methoxyphenyl beta-galactoside; OMPG; 2-methoxyphenyl beta-D-galactoside; 2-methoxyphenyl D-galactoside; 2-methoxyphenyl galactoside
Systematic Name (OpenEye OEToolkits)(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
FormulaC13 H18 O7
Molecular Weight286.278
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2cc(c(OC1C(O)C(O)C(C(CO)O1)O)cc2)OC
SMILESCACTVS3.385COc1ccccc1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
SMILESOpenEye OEToolkits2.0.6COc1ccccc1OC2C(C(C(C(O2)CO)O)O)O
Canonical SMILESCACTVS3.385 COc1ccccc1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O
Canonical SMILESOpenEye OEToolkits2.0.6 COc1ccccc1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChIInChI1.03 InChI=1S/C13H18O7/c1-18-7-4-2-3-5-8(7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1
InChIKeyInChI1.03 WBZPEZUBVIAKKS-KSSYENDESA-N

Related Resource References

Resource NameReference
PubChem 70179974