beta-D-Glucopyranosiduronic acid, 4-amino-2-methoxyphenyl structure

beta-D-Glucopyranosiduronic acid, 4-amino-2-methoxyphenyl

(2S,3S,4S,5R,6S)-6-(4-amino-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: beta-D-Glucopyranosiduronic acid, 4-amino-2-methoxyphenyl|4-Amino-2-methoxyphenyl beta-D-glucopyranosiduronic acid|(2S,3S,4S,5R,6S)-6-(4-amino-2-methoxy-phenoxy)-3,4,5-trihydroxy-oxane-2-carboxylic Acid|(2S,3S,4S,5R,6S)-6-(4-amino-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS: 96107-44-7
Molecular Formula C13H17NO8
Molecular Weight 315.09543 g/mol
LogP -0.7
Topological Polar Surface Area 152.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
Rotatable Bonds 4
Exact Mass 315.09543
Monoisotopic Mass 315.09543
Heavy Atoms 22
Complexity 394.0

Chemical Identifiers

CAS Number 96107-44-7
SMILES COC1=C(C=CC(=C1)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChIKey AEQLXENHGOOUBS-XPORZQOISA-N

Product Overview

beta-D-Glucopyranosiduronic acid, 4-amino-2-methoxyphenyl (CAS 96107-44-7), with molecular formula C13H17NO8 and molecular weight 315.09543 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(4-amino-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

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