Products 117591-51-2

CAS 117591-51-2 is the registry number for 2-Hydroxy-5-methylphenyl beta-D-glucopyranosiduronic Acid. Offered by: TRC, Biosynth. Available pack sizes: 100mg, 10mg.

2-Hydroxy-5-methylphenyl beta-D-glucopyranosiduronic Acid
TRC, Biosynth
  • size: 100mg, 10mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-methylphenoxy)oxane-2-carboxylic acid (CAS 117591-51-2) is a chemical compound with the molecular formula C13H16O8 and a molecular weight of 300.26 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-methylphenoxy)oxane-2-carboxylic acid. InChIKey: UQDOAPRFPPMAOO-XPORZQOISA-N.

Identity
Molecular formulaC13H16O8
Molecular weight300.26 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-methylphenoxy)oxane-2-carboxylic acid
InChIKeyUQDOAPRFPPMAOO-XPORZQOISA-N
SMILESCC1=CC(=C(C=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 2-hydroxy-5-methylphenyl beta-D-glucopyranosiduronic acid, 2-Hydroxy-5-methylphenyl hexopyranosiduronic acid, 2-Hydroxy-5-methylphenyl ?-D-glucopyranosiduronic Acid, 4-Methylcatechol 2-glucuronide, 4-Methylcatechol-2-O-beta-D-glucopyranuronic acid, beta-D-Glucopyranosiduronic acid, 2-hydroxy-5-methylphenyl
Isomers (same molecular formula)
2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid C13H16O8
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid C13H16O8
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-4-methylphenoxy)oxane-2-carboxylic acid C13H16O8
(2S,3R,4S,5S,6R)-2-(1,3-benzodioxol-4-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol C13H16O8