Tanespimycin

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Formula C31H43N3O8
IUPAC Name [(3r,5r,6s,7r,8z,10r,11r,12e,14e)-21-(allylamino)-6-hydroxy-5,11-dimethoxy-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 585.688 g·mol−1
Heat of Formation -1222.5 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 722.55 Å 3
Surface Area 492.44 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey AYUNIORJHRXIBJ-VUDAAAQZSA-N
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