(3R,5As,6S,10Ar)-6-Hydroxy-3-(Hydroxymethyl)-2-Methyl-3,10A-Bis(Methylsulfanyl)-2,3,5A,6,10,10A-Hexahydropyrazino[1,2-A]Indole-1,4-Dione

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Properties Simple | Detailed

Formula C15H20N2O4S2
IUPAC Name (3r,5as,6s,10ar)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-6,10-dihydro-5ah-pyrazino[1,2-a]indole-1,4-dione
Molecular Mass 356.460 g·mol−1
Heat of Formation -571.5 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 393.88 Å 3
Surface Area 308.11 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5as,6s,10ar)-6-hydroxy-2-methyl-3-methylol-3,10a-bis(methylthio)-6,10-dihydro-5ah-pyrazino[4,3-a]indole-1,4-quinone
  • (3r,5as,6s,10ar)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-6,10-dihydro-5ah-pyrazino[1,6-a]indole-1,4-dione
  • (3r,5as,6s,10ar)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-6,10-dihydro-5ah-pyrazino[1,6-a]indole-1,4-dione
  • bisdethiobis(methylthio)gliotoxin
  • fr 49175
  • fr-49175
  • pyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6,10,10a-hexahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-, (3r-(3alpha,5abeta,6beta,10aalpha))-
  • s,s-dimethyl gliotoxin
CAS Number(s)
  • 74149-38-5
InChIKey OVBAGMZLGLXSBN-UOVKNHIHSA-N
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