Methyl (2S,3R)-4-(4,6-Dimethyl-9-Oxo-1H-Imidazo[1,2-A]Purine-3,5-Diium-7,9A-Diid-7-Yl)-3-Hydroperoxy-2-(Methoxycarbonylamino)Butanoate

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Properties Simple | Detailed

Formula C16H22N6O7
IUPAC Name methyl (2s,3r)-4-(4,6-dimethyl-9-oxo-1h-imidazo[1,2-a]purine-3,5-diium-7,9a-diid-7-yl)-3-hydroperoxy-2-(methoxycarbonylamino)butanoate
Molecular Mass 410.382 g·mol−1
Heat of Formation -703.6 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 444.95 Å 3
Surface Area 382.97 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey OEBYEOQGCHAAPQ-ZJUUUORDSA-P
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