Gliotoxin

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Properties Simple | Detailed

Formula C13H14N2O4S2
IUPAC Name gliotoxin
Molecular Mass 326.391 g·mol−1
Heat of Formation -499.8 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 335.75 Å 3
Surface Area 277.95 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 10h-3,10a-epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-hydroxy-3- (hydroxymethyl)-2-methyl-, (3r-(3-alpha,5a-beta,6-beta,10a-alpha))-
  • 10h-3,10a-epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-
  • 2,3,5a,6-tetrahydro-6-hydroxy-3(hyroxymethyl)-2-methyl-10h-3a,10a-epidithio-pyrazinol[1,2alpha]indole-1,4-dione
  • 6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5ah-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione
  • aspergillin
  • gliotoxin, <i>gladiocladium fimbriatum
  • glitoxin
  • qtl1_000040
  • s.n. 12870
CAS Number(s)
  • 67-99-2
InChIKey FIVPIPIDMRVLAY-RBJBARPLSA-N
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