GQ1

4-O-sulfo-alpha-D-glucopyranose

Created:	2014-02-21
Last modified:	2020-07-17

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1 entries where GQ1 is found as a standalone ligand1 entries where GQ1 is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	5
Bond Count	28
Aromatic Bond Count	0

2D diagram of GQ1

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Chemical Component Summary
Name	4-O-sulfo-alpha-D-glucopyranose
Synonyms	4-O-sulfo-alpha-D-glucose; 4-O-sulfo-D-glucose; 4-O-sulfo-glucose
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl] hydrogen sulfate
Formula	C₆ H₁₂ O₉ S
Molecular Weight	260.219
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO
SMILES	CACTVS	3.385	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OS(=O)(=O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
InChIKey	InChI	1.03	LOTQRUGOUKUSEY-UKFBFLRUSA-N

Related Resource References

Resource Name	Reference
PubChem	54044734

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