GLC
alpha-D-glucopyranose
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 5 |
Bond Count | 24 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | alpha-D-glucopyranose |
Synonyms | alpha-D-glucose; D-glucose; glucose |
Systematic Name (OpenEye OEToolkits) | (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
Formula | C6 H12 O6 |
Molecular Weight | 180.156 |
Type | D-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(O)C(OC(O)C1O)CO |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)O)O)O)O)O |
Canonical SMILES | CACTVS | 3.341 | OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | WQZGKKKJIJFFOK-DVKNGEFBSA-N |
Related Resource References
Resource Name | Reference |
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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 |