Ameliaroside

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Properties Simple | Detailed

Formula C14H18O7
IUPAC Name 1-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]ethanone
Molecular Mass 298.289 g·mol−1
Heat of Formation -1172.0 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 338.46 Å 3
Surface Area 304.68 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-(beta-d-glucopyranosyloxy)phenyl)ethan-1-one
  • 1-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
  • 1-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]ethanone
  • 1-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]ethanone
  • 1-[4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone
  • picein
CAS Number(s)
  • 530-14-3
InChIKey GOZCEKPKECLKNO-RKQHYHRCSA-N
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DOI
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