(3S,6S)-3-(4-Hydroxybenzyl)-6-(Hydroxymethyl)-2,5-Piperazinedione

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Properties Simple | Detailed

Formula C12H14N2O4
IUPAC Name (3s,6s)-3-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
Molecular Mass 250.251 g·mol−1
Heat of Formation -609.3 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 285.05 Å 3
Surface Area 262.57 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-3-(4-hydroxybenzyl)-6-methylol-piperazine-2,5-quinone
  • (3s,6s)-3-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
  • 2,5-piperazinedione, 3-(hydroxymethyl)-6-((4-hydroxyphenyl)methyl)-, (3s-cis)-
  • cyclo(l-seryl-l-tyrosyl)
  • cyclo(seryltyrosyl)
CAS Number(s)
  • 21754-31-4
InChIKey CHYMARRIVIIBNV-UWVGGRQHSA-N
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