3-{[(2R,3R,4R,5R,6R)-6-{[(2R,3S,4R,5S,6S)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-Methyltetrahydro-2H-Pyran-4-Yl]Oxy}-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl]Oxy}-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C27H30O16
IUPAC Name 3-[(2r,3r,4r,5r,6r)-6-[(2r,3s,4r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyl-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
Molecular Mass 610.517 g·mol−1
Heat of Formation -2682.9 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 646.7 Å 3
Surface Area 475.87 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2r,3r,4r,5r,6r)-6-[(2r,3s,4r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyl-oxan-4-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
  • 3-[(2r,3r,4r,5r,6r)-6-[(2r,3s,4r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyl-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
  • 3-[(2r,3r,4r,5r,6r)-6-[(2r,3s,4r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
  • 3-[(2r,3r,4r,5r,6r)-6-[(2s,3s,4r,5s,6r)-3,5-dihydroxy-2-methyl-6-methylol-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone
  • 3-[[(2r,3r,4r,5r,6r)-6-[[(2r,3s,4r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyl-4-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone
  • 4h-1-benzopyran-4-one, 3-((6-deoxy-o-glucosyl-l-mannosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • q3on
  • quercetin-3-o-neohesperidose
CAS Number(s)
  • 29322-06-3
InChIKey NBNYGFLJKWYZCH-BXLORXDOSA-N
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