Products 72877-64-6

CAS 72877-64-6 is the registry number for 1-(4-Hydroxybenzoyl)glucuronide. Offered by: TRC. Available pack sizes: 100mg.

1-(4-Hydroxybenzoyl)glucuronide
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxybenzoyl)oxyoxane-2-carboxylic acid (CAS 72877-64-6) is a chemical compound with the molecular formula C13H14O9 and a molecular weight of 314.24 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxybenzoyl)oxyoxane-2-carboxylic acid. InChIKey: UDDPEWPRKBWBMA-UNLLLRGISA-N.

Identity
Molecular formulaC13H14O9
Molecular weight314.24 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxybenzoyl)oxyoxane-2-carboxylic acid
InChIKeyUDDPEWPRKBWBMA-UNLLLRGISA-N
SMILESC1=CC(=CC=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 1-(4-Hydroxybenzoyl)glucuronide
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid C13H14O9
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxybenzoyl)oxyoxane-2-carboxylic acid C13H14O9