5-Bromo-N-(4-Chlorophenyl)-2-[(2,3,4-Tri-O-Acetyl-β-D-Xylopyranosyl)Oxy]Benzamide

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Properties Simple | Detailed

Formula C24H23BrClNO9
IUPAC Name [(3r,4s,5r,6s)-4,5-diacetoxy-6-[4-bromo-2-[(4-chlorophenyl)carbamoyl]phenoxy]tetrahydropyran-3-yl] acetate
Molecular Mass 584.798 g·mol−1
Heat of Formation -1517.8 ± 16.7 kJ·mol−1
Dipole Moment 7.71 ± 1.08 D
Volume 592.59 Å 3
Surface Area 460.5 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 5-bromosalicyl-4'-chloroanilide o-beta-d-xylopyranoside triacetate
  • [(2s,3r,4s,5r)-3,5-diacetoxy-2-[4-bromo-2-[(4-chlorophenyl)carbamoyl]phenoxy]tetrahydropyran-4-yl] acetate
  • [(2s,3r,4s,5r)-3,5-diacetyloxy-2-[4-bromo-2-[(4-chlorophenyl)carbamoyl]phenoxy]oxan-4-yl] ethanoate
  • acetic acid [(2s,3r,4s,5r)-3,5-diacetoxy-2-[4-bromo-2-[(4-chlorophenyl)carbamoyl]phenoxy]tetrahydropyran-4-yl] ester
  • acetic acid [(2s,3r,4s,5r)-3,5-diacetoxy-2-[4-bromo-2-[[(4-chlorophenyl)amino]-oxomethyl]phenoxy]-4-tetrahydropyranyl] ester
  • benzamide, 5-bromo-n-(4-chlorophenyl)-2-((2,3,4-tri-o-acetyl-beta-d-xylopyranosyl)oxy)-
  • zik 1392
CAS Number(s)
  • 81742-16-7
InChIKey BTHNVHDYRQZPHU-GBAAUQCPSA-N
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Elements C Cl H O N Br