Gossypitrin

Molecule SVG Image

Properties Simple | Detailed

Formula C21H16O12
IUPAC Name 2-(3,4-dioxohex-1-en-5-ynylidene)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromane-3,4-dione
Molecular Mass 460.345 g·mol−1
Heat of Formation -1895.1 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 483.71 Å 3
Surface Area 420.6 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4h-chromen-7-yl beta-d-glucopyranoside
  • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • 2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-3,5-dihydroxy-4h-1-benzopyran-4-one
  • 3,5-dihydroxy-2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-3,5-dihydroxy-
  • 4h-1-benzopyran-4-one, 3,5-dihydroxy-2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-
  • quercetin 7-o-beta-d-glucoside
  • quercimeritrin (6ci,7ci,8ci)
InChIKey BBFYUPYFXSSMNV-HMGRVEAOSA-N
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