Methylumbelliferyl 2-acetamido-2-deoxy-beta-D-lactoside

N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Also Known As: Mumadl|J2.065.712J|Methylumbelliferyl 2-acetamido-2-deoxy-beta-D-lactoside|N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide|4-Methylumbelliferyl 2-acetamido-2-deoxy-4-O-b-D-galactopyranosyl-b-D-glucopyranoside|2H-1-Benzopyran-2-one, 7-((2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-4-methyl-|4-methyl-2-oxo-2h-chromen-7-yl 2-(acetylamino)-2-deoxy-4-o-|A-d-galactopyranosyl-|A-d-glucopyranoside|4-Methyl-2-oxo-2H-1-benzopyran-7-yl 2-deoxy-4-O-beta-D-galactopyranosyl-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranoside|4-Methyl-2-oxo-2H-1-benzopyran-7-yl 2-deoxy-4-O-hexopyranosyl-2-[(1-hydroxyethylidene)amino]hexopyranoside|4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-O-(beta-D-galactopyranosyl)-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside|4-Methyl-7-[[2-(acetylamino)-4-O-(beta-D-galactopyranosyl)-2-deoxy-beta-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one|N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

Molecular Formula	C24H31NO13
Molecular Weight	541.17957 g/mol
LogP	-2.9
Topological Polar Surface Area	214.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	541.17957
Monoisotopic Mass	541.17957
Heavy Atoms	38
Complexity	885.0

Chemical Identifiers

CAS Number	956-75-2
SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)NC(=O)C
InChIKey	AVXSAZHHBBNZIS-CYABAIRNSA-N