D-Pantothenic acid 4'-O-beta-glucoside structure

D-Pantothenic acid 4'-O-beta-glucoside

3-[[2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]propanoic acid

Also Known As: D-Pantothenic acid 4'-O-beta-glucoside|4'-O-(beta-D-Glucopyranosyl)-D-pantothenic acid|3-[[2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]propanoic acid|beta-Alanine, N-(4-(beta-D-glucopyranosyloxy)-2-hydroxy-3,3-dimethyl-1-oxobutyl)-

CAS: 29588-37-2
Molecular Formula C15H27NO10
Molecular Weight 381.16348 g/mol
LogP -3.2191
Topological Polar Surface Area 186.01 Ų
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 9
Rotatable Bonds 9
Exact Mass 381.16348
Monoisotopic Mass 381.16348
Heavy Atoms 26
Complexity 483.04758

Chemical Identifiers

CAS Number 29588-37-2
SMILES CC(C)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(C(=O)NCCC(=O)O)O

Product Overview

D-Pantothenic acid 4'-O-beta-glucoside (CAS 29588-37-2), with molecular formula C15H27NO10 and molecular weight 381.16348 g/mol. IUPAC: 3-[[2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]propanoic acid.

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