2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-4-Oxo-4H-Chromen-3-Yl 2-O-β-D-Mannopyranosyl-β-D-Allopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C28H32O17
IUPAC Name 3-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one
Molecular Mass 640.543 g·mol−1
Heat of Formation -2824.3 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 670.94 Å 3
Surface Area 504.07 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-((2-o-beta-d-mannopyranosyl-beta-d-allopyranosyl)oxy)-7-methoxy-4h-1-benzopyran-4-one
  • 3-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one
  • 3-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
  • 3-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one
  • 3-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-methylol-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromone
  • 3-[[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-chromenone
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-((2-o-beta-d-mannopyranosyl-beta-d-allopyranosyl)oxy)-7-methoxy-
  • rhamnetin-3-o-(2''-o-mannopyranosyl)allopyranoside
CAS Number(s)
  • 137830-19-4
InChIKey CEZKIFXYWPTANH-ZJFPABROSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O