1,7,9,11-Tetrahydroxy-8,13-Dioxo-3-Pentyl-8,13-Dihydrobenzo[A]Tetracene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C28H22O8
IUPAC Name 1,7,9,11-tetrahydroxy-8,13-dioxo-3-pentyl-benzo[a]tetracene-2-carboxylic acid
Molecular Mass 486.469 g·mol−1
Heat of Formation -1202.6 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 525.99 Å 3
Surface Area 456.89 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 8,13-dihydro-1,7,9,11-tetrahydroxy-8,13-dioxo-3-pentylbenzo(a)naphthacene-2-carboxylic acid
  • benzo(a)naphthacene-2-carboxylic acid, 8,13-dihydro-1,7,9,11-tetrahydroxy-8,13-dioxo-3-pentyl-
  • benzo(a)naphthacene-2-carboxylic acid, 8,13-dihydro-8,13-dioxo-3-pentyl-1,7,9,11-tetrahydroxy-
  • bequinostatin c
CAS Number(s)
  • 152175-74-1
InChIKey NJGDHHRUAFIFFQ-UHFFFAOYSA-N
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