3-((6-Deoxy-α-L-Mannopyranosyl)Oxy)-1-(Beta-D-Glucopyranosyloxy)-8-Hydroxy-6-Methylanthraquinone

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Properties Simple | Detailed

Formula C27H30O14
IUPAC Name 1-hydroxy-3-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-anthracene-9,10-dione
Molecular Mass 578.519 g·mol−1
Heat of Formation -2336.0 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 627.15 Å 3
Surface Area 488.23 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-3-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-anthracene-9,10-dione
  • 1-hydroxy-3-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione
  • 1-hydroxy-3-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-anthracene-9,10-dione
  • 1-hydroxy-3-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9,10-anthraquinone
  • 1-hydroxy-3-methyl-8-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]anthracene-9,10-dione
InChIKey GPSQZOFVCVOOIE-QWVHOXPHSA-N
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