5-(Hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoic acid, 95%

cas: 2231845-91-1 — see every product listed under this CAS number, including other names

5-(Hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoic acid, 95% (CAS 2231845-91-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

• 2D
• 3D

5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic acid (CAS 2231845-91-1) is a chemical compound with the molecular formula C22H26O13 and a molecular weight of 498.4 g/mol. IUPAC name: 5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic acid. InChIKey: WGIFQAWVZCKPSW-VRRLNDPFSA-N.

Identity

Molecular formula	C22H26O13
Molecular weight	498.4 g/mol
IUPAC name	5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic acid
InChIKey	WGIFQAWVZCKPSW-VRRLNDPFSA-N
SMILES	CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)CO)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

Computed by PubChem (NCBI)

Isomers (same molecular formula)

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate C₂₂H₂₆O₁₃

[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3,4-dihydroxybenzoate C₂₂H₂₆O₁₃