(3R,6S)-3,6-Bis[(1R)-1-Hydroxyethyl]-2,5-Piperazinedione

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Properties Simple | Detailed

Formula C8H14N2O4
IUPAC Name (3s,6r)-3,6-bis[(1r)-1-hydroxyethyl]piperazine-2,5-dione
Molecular Mass 202.208 g·mol−1
Heat of Formation -768.2 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 236.07 Å 3
Surface Area 218.35 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,6s)-3,6-bis(1-hydroxyethyl)piperazine-2,5-dione
  • (3r,6s)-3,6-bis(1-hydroxyethyl)piperazine-2,5-quinone
  • 2,5-piperazinedione, 3,6-bis(1-hydroxyethyl)-, (3s-(3alpha(s*),6alpha(s*)))-
  • cyclo(di(thr))
  • cyclo(di(threonine))
  • cyclo(l-allothr)2
  • cyclo(l-allothreonine)2
  • cyclo(l-thr)2
  • cyclo(l-thr-l-thr)
  • cyclo(l-threonine)2
CAS Number(s)
  • 54617-73-1
InChIKey FEXBTWNVLLOVLN-KAZBKCHUSA-N
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