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

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Properties Simple | Detailed

Formula C25H22O8
IUPAC Name formaldehyde; 2-[(7-methylene-4,5,10-trioxo-1,2,3,4a,8,9a-hexahydroanthracen-9-ylidene)methylene]tetrahydropyran-3,4,5-trione; prop-1-yne
Molecular Mass 450.437 g·mol−1
Heat of Formation -1252.2 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 558.04 Å 3
Surface Area 450.39 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
InChIKey HQLGEJWTJQYJJK-AHVPVAHRSA-N
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Elements H C O