Kaempferol 3-O-Rutinose

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Properties Simple | Detailed

Formula C27H30O15
IUPAC Name 2-[4,6-dioxo-2,5-bis(oxomethylene)tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-trione; (3r)-5-methylene-1,4-dioxaspiro[2.5]octane-6,7,8-trione
Molecular Mass 594.518 g·mol−1
Heat of Formation -2512.2 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 653.92 Å 3
Surface Area 478.74 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 3-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone
  • acon1_002178
  • kaempferol-3-rutinoside
  • megxp0_000024
  • nicotiflorin
CAS Number(s)
  • 17650-84-9
InChIKey RTATXGUCZHCSNG-QHWHWDPRSA-N
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