Kaempferol-7-O-Glucoside

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Properties Simple | Detailed

Formula C21H21O11+
IUPAC Name 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 449.385 g·mol−1
Heat of Formation -1722.3 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 473.1 Å 3
Surface Area 403.27 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
InChIKey YPWHZCPMOQGCDQ-HMGRVEAOSA-N
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