Products 60262-81-9

CAS 60262-81-9 appears in our catalog under these names: 3-Hydroxy Benzopyrene O-b-D-glucuronide, >95% (HPLC), 3-Hydroxy Benzopyrene O-Beta-D-glucuronide, >95% (HPLC). Offered by: TRC. Available pack sizes: 0,5mg, 10mg, 1mg.

3-Hydroxy Benzopyrene O-b-D-glucuronide, >95% (HPLC)
TRC
  • size: 0,5mg
  • Variants: 1
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3-Hydroxy Benzopyrene O-Beta-D-glucuronide, >95% (HPLC)
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-benzo[a]pyren-3-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 60262-81-9) is a chemical compound with the molecular formula C26H20O7 and a molecular weight of 444.4 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-benzo[a]pyren-3-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: SJYHOQLSWMWVSY-TYUWDEHNSA-N.

Identity
Molecular formulaC26H20O7
Molecular weight444.4 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-benzo[a]pyren-3-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeySJYHOQLSWMWVSY-TYUWDEHNSA-N
SMILESC1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Benzo(a)pyrene-3-O-glucuronide, Bp-3-g, 3-Benzo(a)pyrenyl beta-glucopyranosiduronic acid, Benzo(a)pyren-3-yl beta-D-glucopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, benzo(a)pyren-3-yl, 3-Hydroxy Benzopyrene O-b-D-glucuronide, 3-Hydroxy Benzopyrene O-beta-D-glucuronide, (2S,3S,4S,5R,6S)-6-benzo[a]pyren-3-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid, Benzo[pqr]tetraphen-3-yl beta-D-glucopyranosiduronic acid
Isomers (same molecular formula)
(3-oxo-6'-propanoyloxyspiro[2-benzofuran-1,9'-xanthene]-3'-yl) propanoate C26H20O7