RefChem:84547

[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

Also Known As: SO4-4-Galnac-1-4-glcnac|SO4-4-Galnacbeta1,4GlcNAcbeta|2-(Acetylamino)-4-O-(2-(acetylamino)-2-deoxy-4-O-sulfogalactopyranosyl)-2-deoxyglucose|[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate|2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-4-o-sulfo-|A-d-galactopyranosyl]-2-deoxy-d-glucose|D-GLUCOSE,2-(ACETYLAMINO)-4-O-[2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-B-D-GALACTOPYRANOSYL]-2-DEOXY-|2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-4-o-sulfo-beta-d-galactopyranosyl]-2-deoxy-d-glucose|2-Deoxy-4-O-{2-deoxy-2-[(1-hydroxyethylidene)amino]-4-O-sulfo-beta-D-galactopyranosyl}-2-[(1-hydroxyethylidene)amino]-D-glucose|2-Deoxy-4-O-{2-deoxy-2-[(1-hydroxyethylidene)amino]-4-O-sulfohexopyranosyl}-2-[(1-hydroxyethylidene)amino]hexose|D-Glucose, 2-(acetylamino)-4-O-(2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranosyl)-2-deoxy-

Molecular Formula	C16H28N2O14S
Molecular Weight	504.12613 g/mol
LogP	-6.0
Topological Polar Surface Area	267.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	14
Rotatable Bonds	12
Exact Mass	504.12613
Monoisotopic Mass	504.12613
Heavy Atoms	33
Complexity	774.0

Chemical Identifiers

CAS Number	1699-38-3
SMILES	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)OS(=O)(=O)O)O
InChIKey	VUIPMKPVLKMGIH-HGSIGRAESA-N