DEG

butyl alpha-D-mannopyranoside

Created:2004-02-05
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count5
Bond Count36
Aromatic Bond Count0
2D diagram of DEG

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Chemical Component Summary

Namebutyl alpha-D-mannopyranoside
SynonymsBUTYL-A-D-MANNOSE; butyl alpha-D-mannoside; butyl D-mannoside; butyl mannoside
Systematic Name (OpenEye OEToolkits)(2S,3S,4S,5S,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol
FormulaC10 H20 O6
Molecular Weight236.262
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCCC)C1OC(C(O)C(O)C1O)CO
SMILESCACTVS3.341CCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.5.0CCCCOC1C(C(C(C(O1)CO)O)O)O
Canonical SMILESCACTVS3.341 CCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChIInChI1.03 InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9+,10+/m1/s1
InChIKeyInChI1.03 BZANQLIRVMZFOS-ZJDVBMNYSA-N

Related Resource References

Resource NameReference
PubChem 656941
ChEMBL CHEMBL1170454