2-[3-(4-Azidophenyl)Propanoyl]-3,5-Dihydroxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H23N3O9
IUPAC Name 3-(4-azidophenyl)-1-[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 461.422 g·mol−1
Heat of Formation -1162.6 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 526.81 Å 3
Surface Area 401.87 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanone, 3-(4-azidophenyl)-1-(2-(beta-d-glucopyranosyloxy)-4,6-dihydroxyphenyl)-
  • 2'-o-(beta-d-glucopyranosyl)-4-azidophloretin
  • 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]propan-1-one
  • 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
  • 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propan-1-one
  • 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]propan-1-one
  • 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]propan-1-one
  • 4-azidophlorhizin
  • 4-azidophlorizin
CAS Number(s)
  • 79541-46-1
InChIKey AXCDEMZKQHNYNE-QNDFHXLGSA-N
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