Populoside

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Properties Simple | Detailed

Formula C20H22O8
IUPAC Name [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-2-yl]methyl benzoate
Molecular Mass 390.384 g·mol−1
Heat of Formation -1228.3 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 446.66 Å 3
Surface Area 353.31 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(hydroxymethyl)phenyl-beta-d-glucopyranoside 6-benzoate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-2-yl]methyl benzoate
  • benzoic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-methylolphenoxy)tetrahydropyran-2-yl]methyl ester
  • benzoic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]-2-tetrahydropyranyl]methyl ester
  • beta-d-glucopyranoside, 2-(hydroxymethyl)phenyl, 6-benzoate (9ci)
  • populin
  • populin (8ci)
CAS Number(s)
  • 99-17-2
InChIKey HHSKNLJWHGXWPK-BFMVXSJESA-N
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