Methyl 4-(4,6-Dimethyl-9-Oxo-4,9-Dihydro-1H-Imidazo[1,2-A]Purin-7-Yl)-N-(Methoxycarbonyl)Threoninate

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Properties Simple | Detailed

Formula C16H22N6O6
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-hydroxy-2-(methoxycarbonylamino)butanoate
Molecular Mass 394.382 g·mol−1
Heat of Formation -774.5 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 437.58 Å 3
Surface Area 383.2 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey FSOHCNGSHOAUED-ZJUUUORDSA-N
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