(7R,8S,9R,10S)-7,8,9,10-Tetrahydrobenzo[Pqr]Tetraphene-7,8,9,10-Tetrol

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Formula C20H16O4
IUPAC Name (7r,8s,9r,10s)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol
Molecular Mass 320.339 g·mol−1
Heat of Formation -511.5 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 353.44 Å 3
Surface Area 303.62 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (7alpha,8beta,9beta,10alpha)-7,8,9,10-tetrahydrobenzo(a)pyrene-7,8,9,10-tetrol
  • (7r,8s,9r,10s)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol
  • 7,8,9,10-tetrahydrobenzo(a)pyrene-7,8,9,10-tetrol (7alpha,8beta,9beta,10alpha)-(+-)-
  • benzo(a)pyrene-7,10/8,9-tetrol
  • benzo(a)pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9beta,10alpha)-(+-)-
  • benzo(a)pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7r,8s,9r,10s)-rel-
  • benzo(a)pyrene-r-7,t-8,9,c-10-tetrahydrotetrol
  • r-7,t-8,t-9,c-10-tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
CAS Number(s)
  • 61490-66-2
  • 62697-19-2
InChIKey KWFVZAJQUSRMCC-FUMNGEBKSA-N
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