2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-Chromen-3-Yl 2-O-Acetyl-6-O-(6-Deoxy-α-D-Glucopyranosyl)-α-D-Idopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C29H32O17
IUPAC Name ethanol; formaldehyde; 2-methylenetetrahydropyran-3,4,5-trione; molecular oxygen; 6-(oxomethylene)tetrahydropyran-2,3,4,5-tetrone; prop-1-yne-1,3-diol; hydrate
Molecular Mass 652.554 g·mol−1
Heat of Formation -2935.8 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 685.75 Å 3
Surface Area 479.27 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2''-o-acetylrutin
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl 2-o-acetyl-6-o-(6-deoxyhexopyranosyl)hexopyranoside
  • 4h-1-benzopyran-4-one, 3-[[2-o-acetyl-6-o-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • [(2r,3s,4r,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-3-yl] ethanoate
  • [(2r,3s,4r,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] acetate
  • [(2r,3s,4r,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] acetate
  • acetic acid 2-[2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yloxy]-4,5-dihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-3-yl ester
  • acetic acid [(2r,3s,4r,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl]oxy-4,5-dihydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] ester
  • acetic acid [(2r,3s,4r,5r,6r)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-chromenyl]oxy]-4,5-dihydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-3-tetrahydropyranyl] ester
  • quercetin 3-o-alpha-l-rhamnopyranosyl(1->6)-2''-o-acetyl-beta-d-glucopyranoside
InChIKey OTLZRRUHHNDQIU-AZUHLPDUSA-N
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