(3S,6S)-3,6-Bis[(5-Hydroxy-1H-Indol-3-Yl)Methyl]-2,5-Piperazinedione

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Properties Simple | Detailed

Formula C22H20N4O4
IUPAC Name (3s,6s)-3-[(5-hydroxy-2h-indol-1-ium-2-ylium-3-yl)methyl]-6-[(5-hydroxyindol-3-yl)methyl]piperazine-2,5-dione
Molecular Mass 404.419 g·mol−1
Heat of Formation -378.3 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 458.7 Å 3
Surface Area 402.81 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-3,6-bis[(5-hydroxy-1h-indol-3-yl)methyl]piperazine-2,5-dione
  • (3s,6s)-3,6-bis[(5-hydroxy-1h-indol-3-yl)methyl]piperazine-2,5-quinone
  • cht-cht
  • cyclo(5(oh)-trp-5(oh)-trp)
  • cyclo(5-hydroxytryptophyl-5-hydroxytryptophyl)
CAS Number(s)
  • 136004-14-3
InChIKey HASWNCHYBAFUSB-PMACEKPBSA-N
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