1-O-[(11-Oxo-6,11-Dihydrodibenzo[B,E]Oxepin-2-Yl)Acetyl]-β-D-Glucopyranuronic Acid

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Properties Simple | Detailed

Formula C22H20O10
IUPAC Name (2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-[2-(11-oxo-6h-benzo[c][1]benzoxepin-2-yl)acetyl]oxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 444.388 g·mol−1
Heat of Formation -1532.5 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 478.6 Å 3
Surface Area 421.09 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
InChIKey NCYWNHLOMITKET-SPNOPHAYSA-N
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Elements H C O