GLC

alpha-D-glucopyranose

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count5
Bond Count24
Aromatic Bond Count0
2D diagram of GLC

Chemical Component Summary

Namealpha-D-glucopyranose
Synonymsalpha-D-glucose; D-glucose; glucose
Systematic Name (OpenEye OEToolkits)(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
FormulaC6 H12 O6
Molecular Weight180.156
TypeD-SACCHARIDE, ALPHA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OC1C(O)C(OC(O)C1O)CO
SMILESCACTVS3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
Canonical SMILESCACTVS3.341 OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
InChIInChI1.03 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyInChI1.03 WQZGKKKJIJFFOK-DVKNGEFBSA-N

Related Resource References

Resource NameReference
PubChem 79025
ChEMBL CHEMBL423707
ChEBI CHEBI:18398, CHEBI:28100, CHEBI:15444, CHEBI:28102, CHEBI:17925, CHEBI:18269
CCDC/CSD GLUCMH11, GLUCMH12, FOWVIY, GLUCSA03, GLUCSA15, GLUCSA11, GLUCSA10, GLUCSA16, GLUCSA19, GLUCSA17, GLUCSA, GLUCSA14, GLUCSA18, GLUCSA13, GLUCSA12, GLUCSA20
COD 1558408, 1518440, 1518437, 1518433, 1518446, 1518445, 1518438, 1518439, 1518443, 1518441, 1518436, 1518442, 1518435, 1518434, 1518432, 1518444