3MG

3-O-methyl-beta-D-glucopyranose

Created:	2007-08-22
Last modified:	2020-07-17

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4 entries where 3MG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	5
Bond Count	27
Aromatic Bond Count	0

2D diagram of 3MG

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Chemical Component Summary
Name	3-O-methyl-beta-D-glucopyranose
Synonyms	3-O-methyl-beta-D-glucose; 3-O-methyl-D-glucose; 3-O-methyl-glucose
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxy-oxane-2,3,5-triol
Formula	C₇ H₁₄ O₆
Molecular Weight	194.182
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(C1C(O)C(OC(O)C1O)CO)C
SMILES	CACTVS	3.341	CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	COC1C(C(OC(C1O)O)CO)O
Canonical SMILES	CACTVS	3.341	CO[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O
InChI	InChI	1.03	InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1
InChIKey	InChI	1.03	SCBBSJMAPKXHAH-BNWJMWRWSA-N

Related Resource References

Resource Name	Reference
PubChem	11869260

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