Products 111897-99-5

CAS 111897-99-5 appears in our catalog under these names: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(o-tolyloxy)tetrahydro-2H-pyran-2-carboxylic acid, 97%, o-Cresol beta-D-Glucuronide, o-Cresol beta-D-Glucuronide, >95% (HPLC), o-Cresol-d7 beta-D-Glucuronide. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 50mg, 5mg.

(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(o-tolyloxy)tetrahydro-2H-pyran-2-carboxylic acid, 97%
Chemat Brand
  • size: on request
  • Variants: 1
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o-Cresol beta-D-Glucuronide
Chemat Brand
  • size: on request
  • Variants: 1
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o-Cresol beta-D-Glucuronide, >95% (HPLC)
TRC
  • size: 50mg, 5mg
  • Variants: 2
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o-Cresol-d7 beta-D-Glucuronide
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(2-methylphenoxy)oxane-2-carboxylic acid (CAS 111897-99-5) is a chemical compound with the molecular formula C13H16O7 and a molecular weight of 284.26 g/mol. IUPAC name: (3R,4R,5R,6R)-3,4,5-trihydroxy-6-(2-methylphenoxy)oxane-2-carboxylic acid. InChIKey: UPSZSICMSBXXRN-YWNZWZMFSA-N.

Identity
Molecular formulaC13H16O7
Molecular weight284.26 g/mol
IUPAC name(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(2-methylphenoxy)oxane-2-carboxylic acid
InChIKeyUPSZSICMSBXXRN-YWNZWZMFSA-N
SMILESCC1=CC=CC=C1O[C@@H]2[C@@H]([C@@H]([C@H](C(O2)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: o-Cresol beta-D-Glucuronide, o-Cresol |A-D-Glucuronide, 2-Methylphenyl (5xi)-beta-l-lyxo-hexopyranosiduronic acid
Isomers (same molecular formula)
benzyl (3S,5S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate C13H16O7
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carboxylic acid C13H16O7
5-[2-(2-methoxyethoxy)ethoxy]benzene-1,3-dicarboxylic acid C13H16O7
[(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate C13H16O7
[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate C13H16O7
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde C13H16O7
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] benzoate C13H16O7
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] benzoate C13H16O7
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl benzoate C13H16O7
[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl benzoate C13H16O7
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate C13H16O7
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylate C13H16O7