(1S)-1,5-Anhydro-1-[7-(β-D-Glucopyranosyloxy)-1,3,6-Trihydroxy-9-Oxo-9H-Xanthen-2-Yl]-D-Glucitol

Molecule SVG Image

Properties Simple | Detailed

Formula C25H28O16
IUPAC Name 1,3,6-trihydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthen-9-one
Molecular Mass 584.480 g·mol−1
Heat of Formation -2728.2 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 612.32 Å 3
Surface Area 495.16 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,6-trihydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-7-[[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9-xanthenone
  • 1,3,6-trihydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-xanthen-9-one
  • 1,3,6-trihydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
  • 1,3,6-trihydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthen-9-one
  • 1,3,6-trihydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-xanthone
  • mangiferin-7-o-beta-glucoside
  • neomangiferin
InChIKey VUWOVGXVRYBSGI-IRXABLMPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O