6–((4,5–Dihydroxy–9,10–dioxo–9,10–dihydroanthracene–2–carbonyl)oxy)–3,4,5–trihydroxytetrahydro–2H–pyran–2–carboxylic acid

cas: 190605-03-9 — see every product listed under this CAS number, including other names

6–((4,5–Dihydroxy–9,10–dioxo–9,10–dihydroanthracene–2–carbonyl)oxy)–3,4,5–trihydroxytetrahydro–2H–pyran–2–carboxylic acid (CAS 190605-03-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg. Offered by: GLPBio.

• 2D
• 3D

(2R,3R,4R,5S,6R)-6-(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 190605-03-9) is a chemical compound with the molecular formula C21H16O12 and a molecular weight of 460.3 g/mol. IUPAC name: (2R,3R,4R,5S,6R)-6-(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: IKYQBZPCZQHNKI-ZIKOTGLESA-N.

Identity

Molecular formula	C21H16O12
Molecular weight	460.3 g/mol
IUPAC name	(2R,3R,4R,5S,6R)-6-(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKey	IKYQBZPCZQHNKI-ZIKOTGLESA-N
SMILES	C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Rhein Acyl-b-D-glucuronide

Isomers (same molecular formula)

(2S,3S,4S,5R,6S)-6-(6-carboxy-8-hydroxy-9,10-dioxoanthracen-1-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C₂₁H₁₆O₁₂