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

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Properties Simple | Detailed

Formula C21H20Br4O10
IUPAC Name 1-[3,5-dibromo-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 751.993 g·mol−1
Heat of Formation -1567.4 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 601.4 Å 3
Surface Area 452.63 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,3',5'-tetrabromophlorhizin
  • 1-[3,5-dibromo-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-[3,5-dibromo-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-[3,5-dibromo-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-[3,5-dibromo-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-[3,5-dibromo-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-(3,5-dibromo-2-(beta-d-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(3,5-dibromo-4-hydroxyphenyl)-
  • tetrabromophlorizin
CAS Number(s)
  • 86158-06-7
InChIKey FINNPFQSLRPSQZ-CFNLRIOXSA-N
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Elements H C Br O