5,8-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-7-Yl 2-O-β-D-Allopyranosyl-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C27H30O16
IUPAC Name formaldehyde; 4-hydroperoxybuta-1,3-diyn-1-ol; 6-(oxomethylene)-3-[3,4,5-trioxo-6-(oxomethylene)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-trione; hydrate
Molecular Mass 610.517 g·mol−1
Heat of Formation -2621.4 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 650.93 Å 3
Surface Area 530.42 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
  • 7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
  • 7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
  • 7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-methylol-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromone
  • 7-[[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5,8-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone
InChIKey PTKNECMMKRDZEG-XRWVYELWSA-N
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