R-7,T-8,T-9,C-10-Tetrahydroxy-7,8,9,10-Tetrahydrobenzo(A)Pyrene

Molecule SVG Image

Properties Simple | Detailed

Formula C20H16O4
IUPAC Name (7s,8r,9r,10s)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol
Molecular Mass 320.339 g·mol−1
Heat of Formation -512.9 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 349.42 Å 3
Surface Area 300.44 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,8r,9r,10s)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol
  • 7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene
  • 7,9/8,10-tetrahydroxytetrahydrobenzo(a)pyrene
  • 7-beta,8-alpha,9-beta,10-alpha-tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • benzo(a)pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7-alpha,8-beta,9-alpha,10
  • benzo(a)pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7-alpha,8-beta,9-alpha,10-beta)-
CAS Number(s)
  • 61490-67-3
InChIKey KWFVZAJQUSRMCC-VNTMZGSJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O