Gossypin

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Properties Simple | Detailed

Formula C21H20O13
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 480.376 g·mol−1
Heat of Formation -1998.2 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 504.42 Å 3
Surface Area 402.03 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • 2-(3,4-dihydroxyphenyl)-8-(beta-d-glucopyranosyloxy)-3,5,7-trihydroxy-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(.beta.-d-glucopyranosyloxy)-3,5,7-trihydroxy-
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(beta-d-glucopyranosyloxy)-3,5,7-trihydroxy-
  • gossypetin 8-o-glucoside
  • gossypetin-8-glucoside
CAS Number(s)
  • 652-78-8
InChIKey SJRXVLUZMMDCNG-KKPQBLLMSA-N
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