4-Bromo-2-[3-(3,5-Dibromo-4-Hydroxyphenyl)Propanoyl]-3,5-Dihydroxyphenyl β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C21H21Br3O10
IUPAC Name 1-[3-bromo-2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(3,5-dibromo-4-hydroxy-phenyl)propan-1-one
Molecular Mass 673.097 g·mol−1
Heat of Formation -1588.9 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 585.58 Å 3
Surface Area 440.4 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-bromo-2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-3-(3,5-dibromo-4-hydroxy-phenyl)propan-1-one
  • 1-[3-bromo-2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
  • 1-[3-bromo-2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(3,5-dibromo-4-hydroxy-phenyl)propan-1-one
  • 1-[3-bromo-2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-(3,5-dibromo-4-hydroxy-phenyl)propan-1-one
  • 1-[3-bromo-2,4-dihydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
  • 1-propanone, 1-(3-bromo-6-(beta-d-glucopyranosyloxy)-2,4-dihydroxyphenyl)-3-(3,5-dibromo-4-hydroxyphenyl)-
  • 3,3',5'-tribromophlorhizin
  • 3,3',5'-tribromophlorizin
CAS Number(s)
  • 86158-09-0
InChIKey RFZGXHLLXXDQJN-JNHRPPPUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br