Geldanamycin

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Formula C29H40N2O9
IUPAC Name [(3r,5s,6s,7r,8e,10s,11s,12z,14e)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
Molecular Mass 560.636 g·mol−1
Heat of Formation -1403.8 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 702.92 Å 3
Surface Area 496.28 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
InChIKey QTQAWLPCGQOSGP-NOWWHHBVSA-N
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