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KGM

Summary
Name:heptyl alpha-D-mannopyranoside
Synonyms:Heptyl Alpha-D-mannopyrannoside
heptyl alpha-D-mannoside; heptyl D-mannoside; heptyl mannoside
Formula:C13 H26 O6
Formal charge:0
Formula weight:278.342 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01heptyl alpha-D-mannopyranoside
OpenEye OEToolkits1.9.2(2S,3S,4S,5S,6R)-2-heptoxy-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(CCCCCCC)C1OC(C(O)C(O)C1O)CO
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-BNDIWNMDSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
SMILESCACTVS3.385CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits1.9.2CCCCCCCOC1C(C(C(C(O1)CO)O)O)O

222036

PDB entries from 2024-07-03

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