Benzo[Pqr]Tetraphen-3-Yl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C26H20O7
IUPAC Name carbon dioxide; 2-(6-ethynyl-7-methyl-pyren-1-yl)oxytetrahydropyran-3,4,5-trione
Molecular Mass 444.433 g·mol−1
Heat of Formation -892.6 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 487.63 Å 3
Surface Area 411.77 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-(3-benzo[h]pyrenyloxy)-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-benzo[h]pyren-3-yloxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-benzo[h]pyren-3-yloxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-benzo[h]pyren-3-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 3-benzo(a)pyrenyl beta-glucopyranosiduronic acid
  • benzo(a)pyren-3-yl beta-d-glucopyranosiduronic acid
  • benzo(a)pyrene-3-o-glucuronide
  • beta-d-glucopyranosiduronic acid, benzo(a)pyren-3-yl
  • bp-3-g
CAS Number(s)
  • 60262-81-9
InChIKey SJYHOQLSWMWVSY-TYUWDEHNSA-N
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