9,10-Anthracenedione, 1-((2-O-(6-Deoxy-α-L-Mannopyranosyl)-Beta-D-Glucopyranosyl)Oxy)-6,8-Dihydroxy-3-Methyl-

Molecule SVG Image

Properties Simple | Detailed

Formula C19H2O14
IUPAC Name 1-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6,8-dihydroxy-3-methylanthracene-9,10-dione
Molecular Mass 454.211 g·mol−1
Heat of Formation -2349.5 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 626.75 Å 3
Surface Area 491.72 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 1,6,8-tmarg
  • 1,6,8-trihydroxy-3-methylanthraquinone 1-o-rhamnosyl(1-2)glucoside
  • 1-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-6,8-dihydroxy-3-methyl-anthracene-9,10-dione
  • 1-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6,8-dihydroxy-3-methyl-anthracene-9,10-dione
  • 1-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-methylol-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6,8-dihydroxy-3-methyl-9,10-anthraquinone
  • 1-[[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-6,8-dihydroxy-3-methylanthracene-9,10-dione
CAS Number(s)
  • 137162-02-8
InChIKey PWVDAXDKFKBTFL-QWVHOXPHSA-N
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