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Structure

Aniline β-D-glucuronide

CAS
92117-30-1
Catalog Number
ACM92117301
Category
Other Products
Molecular Weight
269.25
Molecular Formula
C12H15NO6

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Specification

Synonyms
1-Deoxy-1-(phenylamino)-β-D-glucopyranuronic Acid;
IUPAC Name
(2S,3S,4S,5R,6R)-6-anilino-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES
C1=CC=C(C=C1)NC2C(C(C(C(O2)C(=O)O)O)O)O
InChI Key
SPTXZDAXCOTKFR-QUARPLMYSA-N
Exact Mass
269.09000
H-Bond Acceptor
7
H-Bond Donor
5
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