(4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-Azido-7,12-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-N-[2-(2-Iodo-1H-Imidazol-3-Ium-5-Id-5-Yl)Ethyl]Pentanamide

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Formula C29H47IN6O3
IUPAC Name (4r)-4-[(3s,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3-azido-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-n-[2-(2-iodo-1h-imidazol-3-ium-5-id-5-yl)ethyl]pentanamide
Molecular Mass 654.626 g·mol−1
Heat of Formation -372.7 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 709.52 Å 3
Surface Area 528.14 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
InChIKey NFCXVEQDTUNMFE-HINFNQOYSA-N
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