(2S)-2-({(1E)-1-[(9Br)-6-Acetyl-7,9-Dihydroxy-8,9B-Dimethyl-1,3-Dioxo-3,9B-Dihydrodibenzo[B,D]Furan-2(1H)-Ylidene]Ethyl}Amino)-5-Methoxy-5-Oxopentanoic Acid (Non-Preferred Name)

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Properties Simple | Detailed

Formula C24H26NO10
IUPAC Name (e)-1-[(9br)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-dibenzofuran-2-id-2-yl]ethylidene-[(1s)-1-carboxy-4-methoxy-4-oxo-butyl]ammonium
Molecular Mass 488.464 g·mol−1
Heat of Formation -1702.6 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 533.01 Å 3
Surface Area 453.47 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey KSWPDJNHLSRGKZ-WGBSBUBISA-N
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