4-Acetyl-2-Methoxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C15H20O8
IUPAC Name 1-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone
Molecular Mass 328.315 g·mol−1
Heat of Formation -1321.8 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 373.98 Å 3
Surface Area 314.78 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethanone
  • 1-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
  • 1-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone
  • 1-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone
  • 1-[3-methoxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone
  • acon1_001064
  • androsin
  • ethanone, 1-(4-(beta-d-glucopyranosyloxy)-3-methoxyphenyl)-
  • megxp0_001242
CAS Number(s)
  • 531-28-2
InChIKey QUOZWMJFTQUXON-UXXRCYHCSA-N
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