Products 55811-42-2

CAS 55811-42-2 appears in our catalog under these names: Phenyl b-D-Glucuronide Methyl Ester, Phenyl Beta-D-Glucuronide Methyl Ester. Offered by: TRC. Available pack sizes: 1g, 250mg, 500mg.

Phenyl b-D-Glucuronide Methyl Ester
TRC
  • size: 1g
  • Variants: 1
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Phenyl Beta-D-Glucuronide Methyl Ester
TRC
  • size: 250mg, 500mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

Methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylate (CAS 55811-42-2) is a chemical compound with the molecular formula C13H16O7 and a molecular weight of 284.26 g/mol. IUPAC name: methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylate. InChIKey: CFQIPXDWJGLLGH-XPORZQOISA-N.

Identity
Molecular formulaC13H16O7
Molecular weight284.26 g/mol
IUPAC namemethyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylate
InChIKeyCFQIPXDWJGLLGH-XPORZQOISA-N
SMILESCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2)O)O)O

Computed by PubChem (NCBI)

Synonyms: Phenyl b-D-Glucuronide Methyl Ester, Phenyl beta-D-Glucuronide Methyl Ester
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
(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(2-methylphenoxy)oxane-2-carboxylic 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