[[[(2R,3S,4R,5R)-5-(4-Amino-1H-Imidazol-3-Ium-3-Yl)-3-Formyloxy-4-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl]Oxy-Oxido-Phosphoryl] Phosphate; Ammonia

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Formula C23H27N6O14P3
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 5-(dimethylamino)naphthalene-1-carboxylate
Molecular Mass 704.414 g·mol−1
Heat of Formation -3024.9 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 708.92 Å 3
Surface Area 520.92 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
InChIKey NRKUKXBMJNOUBY-WGQQHEPDSA-N
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