Novobiocin

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Properties Simple | Detailed

Formula C31H37N2O11+
IUPAC Name [(3r,4s,5r,6r)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxo-chromen-7-yl]oxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] carbamate
Molecular Mass 613.632 g·mol−1
Heat of Formation -1742.4 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 706.22 Å 3
Surface Area 581.49 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey YJQPYGGHQPGBLI-KGSXXDOSSA-N
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