Purpuramine J

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Properties Simple | Detailed

Formula C23H28Br3N3O5
IUPAC Name 3-[2,6-dibromo-4-[2-[[(2z)-3-(3-bromo-4-methoxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyl]phenoxy]-n,n-dimethyl-propan-1-amine oxide
Molecular Mass 666.198 g·mol−1
Heat of Formation -377.0 ± 16.7 kJ·mol−1
Dipole Moment 1.20 ± 1.08 D
Volume 624.58 Å 3
Surface Area 428.69 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2z)-3-(3-bromo-4-methoxyphenyl)-n-(2-{3,5-dibromo-4-[3-(dimethylnitroryl)propoxy]phenyl}ethyl)-2-(hydroxyimino)propanamide
  • 3-[2,6-dibromo-4-[2-[[(2z)-3-(3-bromo-4-methoxy-phenyl)-2-hydroximino-propanoyl]amino]ethyl]phenoxy]-n,n-dimethyl-propan-1-amine oxide
  • 3-[2,6-dibromo-4-[2-[[(2z)-3-(3-bromo-4-methoxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyl]phenoxy]-n,n-dimethyl-propan-1-amine oxide
  • 3-[2,6-dibromo-4-[2-[[(2z)-3-(3-bromo-4-methoxyphenyl)-2-hydroxyimino-1-oxopropyl]amino]ethyl]phenoxy]-n,n-dimethylpropan-1-amine oxide
  • 3-[2,6-dibromo-4-[2-[[(2z)-3-(3-bromo-4-methoxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyl]phenoxy]-n,n-dimethylpropan-1-amine oxide
  • benzenepropanamide, 3-bromo-n-[2-[3,5-dibromo-4-[3-(dimethylnitroryl)propoxy]phenyl]ethyl]-alpha-(hydroxyimino)-4-methoxy-, (alphaz)-
InChIKey FRLHXVVWMAEBOU-RRAHZORUSA-N
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