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

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Properties Simple | Detailed

Formula C25H16O8
IUPAC Name formaldehyde; 2-[(2-methylene-4,5,10-trioxo-8-prop-1-ynyl-1,10a-dihydroanthracen-9-ylidene)methylene]tetrahydropyran-3,4,5-trione
Molecular Mass 444.390 g·mol−1
Heat of Formation -1256.0 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 549.72 Å 3
Surface Area 425.06 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey HQLGEJWTJQYJJK-XIHILNEPSA-N
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Elements H C O