(1S)-1,5-Anhydro-1-(1,1',3',4,6,6',7',8-Octahydroxy-9,9'-Dioxo-9H,9'H-2,4'-Bixanthen-2'-Yl)-D-Glucitol

Molecule SVG Image

Properties Simple | Detailed

Formula C32H24O17
IUPAC Name 1,3,6,7-tetrahydroxy-4-(1,4,6,8-tetrahydroxy-9-oxo-xanthen-2-yl)-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
Molecular Mass 680.523 g·mol−1
Heat of Formation -2658.0 ± 16.7 kJ·mol−1
Dipole Moment 13.16 ± 1.08 D
Volume 684.65 Å 3
Surface Area 561.43 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,6,7-tetrahydroxy-4-(1,4,6,8-tetrahydroxy-9-keto-xanthen-2-yl)-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]xanthone
  • 1,3,6,7-tetrahydroxy-4-(1,4,6,8-tetrahydroxy-9-oxo-2-xanthenyl)-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-9-xanthenone
  • 1,3,6,7-tetrahydroxy-4-(1,4,6,8-tetrahydroxy-9-oxo-xanthen-2-yl)-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
  • 1,3,6,7-tetrahydroxy-4-(1,4,6,8-tetrahydroxy-9-oxo-xanthen-2-yl)-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
InChIKey SSBJLFDANWAXNG-KPTZWRFBSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O