2,4-Dibromo-6-[3-(3-Bromo-4-Hydroxyphenyl)Propanoyl]-3,5-Dihydroxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H21Br3O10
IUPAC Name 3-(3-bromo-4-hydroxy-phenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propan-1-one
Molecular Mass 673.097 g·mol−1
Heat of Formation -1583.6 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 577.5 Å 3
Surface Area 428.34 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,3'-tribromophlorhizin
  • 1,3,3'-tribromophlorizin
  • 1-propanone, 3-(3-bromo-4-hydroxyphenyl)-1-(3,5-dibromo-2-(beta-d-glucopyranosyloxy)-4,6-dihydroxyphenyl)-
  • 3-(3-bromo-4-hydroxy-phenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]propan-1-one
  • 3-(3-bromo-4-hydroxy-phenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propan-1-one
  • 3-(3-bromo-4-hydroxy-phenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]propan-1-one
  • 3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
  • 3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]propan-1-one
CAS Number(s)
  • 86158-07-8
InChIKey OJNFYFAITKSYKH-KWFTXZDRSA-N
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Elements H C O Br