1-O-[(5-Chloro-1,3,3A,12B-Tetrahydro-2H-Dibenzo[2,3:6,7]Oxepino[4,5-C]Pyrrol-2-Yl)Carbonyl]-β-D-Glucopyranuronic Acid

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Properties Simple | Detailed

Formula C23H22ClNO9
IUPAC Name 1-o-[(5-chloro-1,3,3a,12b-tetrahydro-2h-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-2-yl)carbonyl]-β-d-glucopyranuronic acid
Molecular Mass 491.875 g·mol−1
Heat of Formation -1398.1 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 521.19 Å 3
Surface Area 406.93 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey MONYWLCNIOIULX-XWWIQMDLSA-N
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Elements H C N O Cl