[Hydroxy-[(2R)-2-[(1R)-1-(7H-Imidazo[2,1-F]Purine-1,4,9-Triium-7-Id-3-Yl)-2-Oxo-Ethoxy]-3-Oxo-Propoxy]Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C12H15N5O13P3
IUPAC Name [hydroxy-[(2r)-2-[(1r)-1-(7h-imidazo[2,1-f]purine-1,4,9-triium-7-id-3-yl)-2-oxo-ethoxy]-3-oxo-propoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 530.194 g·mol−1
Heat of Formation -2777.5 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 489.72 Å 3
Surface Area 364.43 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
InChIKey ONWRTHRTAUAJKF-DTWKUNHWSA-P
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