3-(Beta-D-glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester

cas: 53827-68-2 — see every product listed under this CAS number, including other names

3-(Beta-D-glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester (CAS 53827-68-2) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg. Offered by: Biosynth.

• 2D
• 3D

Methyl 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate (CAS 53827-68-2) is a chemical compound with the molecular formula C14H18O9 and a molecular weight of 330.29 g/mol. IUPAC name: methyl 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate. InChIKey: VSTYNZNDJYVPKL-RRZLQCMWSA-N.

Identity

Molecular formula	C14H18O9
Molecular weight	330.29 g/mol
IUPAC name	methyl 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
InChIKey	VSTYNZNDJYVPKL-RRZLQCMWSA-N
SMILES	COC(=O)C1=C(C(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 3-(beta-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester, Methyl 3-I2-D-glucopyranosyloxysalicylate, methyl 3-beta-d-glucopyranosyloxysalicylate, 3-(b-D-Glucopyranosyloxy)-2-hydroxybenzoate methyl ester, Methyl 2-hydroxy-3-(1-beta-D-glucopyranosyl)oxybenzoate, 3-(beta-D-Glucopyranosyloxy)-2-hydroxybenzoate methyl ester, 3-(b-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester, 3-(|A-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester, orb1683685, 3-(-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester

Isomers (same molecular formula)

[(2R,3R,4S)-3,4,5-triacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate C₁₄H₁₈O₉

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid C₁₄H₁₈O₉

3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid C₁₄H₁₈O₉

2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid C₁₄H₁₈O₉

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-hydroxy-3-methoxybenzoate C₁₄H₁₈O₉

1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone C₁₄H₁₈O₉

1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone C₁₄H₁₈O₉

1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone C₁₄H₁₈O₉

methyl 4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate C₁₄H₁₈O₉

3-methoxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid C₁₄H₁₈O₉

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate C₁₄H₁₈O₉