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B7G

Summary
Name:heptyl beta-D-glucopyranoside
Synonyms:HEPTYL-BETA-D-GLUCOPYRANOSIDE
heptyl beta-D-glucoside; heptyl D-glucoside; heptyl glucoside
Formula:C13 H26 O6
Formal charge:0
Formula weight:278.342 Da
Component type:D-saccharide

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCCCCCC)C1OC(C(O)C(O)C1O)CO
SMILES_CANONICALCACTVS3.341CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.341CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChIInChI1.03InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyInChI1.03NIDYWHLDTIVRJT-UJPOAAIJSA-N

222415

数据于2024-07-10公开中

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