(1R,2S,3R,4S)-3-Acetoxy-11-Diazonio-2,4,10-Trihydroxy-2-Methyl-9-Oxo-1-(Propionyloxy)-2,3,4,9-Tetrahydro-1H-Benzo[B]Fluoren-5-Olate

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Properties Simple | Detailed

Formula C23H24N2O9
IUPAC Name [(1r,2s,3r,4s)-3-acetoxy-2,4,9-trihydroxy-2-methyl-5,10-dioxo-1-propanoyloxy-3,4-dihydro-1h-benzo[b]fluoren-4b-id-11-yl]-λ1-azanyl-azanide
Molecular Mass 472.445 g·mol−1
Heat of Formation -1198.9 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 506.73 Å 3
Surface Area 412.17 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -2.26 ± eV
Point Group Symmetry C1
InChIKey YJMKDCSMTLNABN-AFXVXQJMSA-N
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