(E,E)-Psammaplin A

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Properties Simple | Detailed

Formula C22H24Br2N4O6S2
IUPAC Name (2e)-3-(3-bromo-4-hydroxy-phenyl)-n-[2-[2-[[(2e)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyimino-propanamide
Molecular Mass 664.387 g·mol−1
Heat of Formation -598.8 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 654.06 Å 3
Surface Area 448.03 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-3-(3-bromo-4-hydroxy-phenyl)-n-[2-[2-[[(2e)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroximino-propanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroximino-propionamide
  • (2e)-3-(3-bromo-4-hydroxy-phenyl)-n-[2-[2-[[(2e)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyimino-propanamide
  • (2e)-3-(3-bromo-4-hydroxyphenyl)-n-[2-[2-[[(2e)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-1-oxopropyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
  • b723735k022
  • benzenepropanamide, n,n'-(dithiodi-2,1-ethanediyl)bis(3-bromo-4-hydroxy-alpha-(hydroxyimino)-
  • bisprasin
  • psa
  • psammaplin a
CAS Number(s)
  • 110659-91-1
InChIKey LMAFSGDNHVBIHU-XUIWWLCJSA-N
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Elements C H O N S Br