(5S)-1-O-Acetyl-5-[(9S)-4,5-Dihydroxy-2-Methyl-10-Oxo-9,10-Dihydro-9-Anthracenyl]-α-L-Lyxopyranose

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Properties Simple | Detailed

Formula C22H22O9
IUPAC Name [(2s,3r,4r,5r,6s)-6-[(9s)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] acetate
Molecular Mass 430.405 g·mol−1
Heat of Formation -1562.2 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 474.07 Å 3
Surface Area 379.26 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4r,5r,6s)-6-[(9s)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]-3,4,5-trihydroxy-oxan-2-yl] ethanoate
  • [(2s,3r,4r,5r,6s)-6-[(9s)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] acetate
  • [(2s,3r,4r,5r,6s)-6-[(9s)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate
  • acetic acid [(2s,3r,4r,5r,6s)-6-[(9s)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]-3,4,5-trihydroxy-2-tetrahydropyranyl] ester
InChIKey ANCSMTDJGPZSRP-ZKQYTOOUSA-N
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