2,6-Anhydro-5-O-Benzoyl-1-Deoxy-1-[(9R)-4,5,9-Trihydroxy-2-Methyl-10-Oxo-9,10-Dihydro-9-Anthracenyl]-D-Mannitol

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Properties Simple | Detailed

Formula C28H26O9
IUPAC Name [(3r,4s,5s,6r)-4,5-dihydroxy-6-[[(9r)-4,5,9-trihydroxy-2-methyl-10-oxo-9-anthryl]methyl]tetrahydropyran-3-yl] benzoate
Molecular Mass 506.501 g·mol−1
Heat of Formation -1434.0 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 563.6 Å 3
Surface Area 442.11 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
InChIKey DHPCXWBWRWPXDU-VRAYHDTKSA-N
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Elements H C O