[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[6-Oxo-2-[3-(Propanoylamino)Propylamino]-3H-Purine-1,7-Diium-4-Id-9-Yl]Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Formula C16H28N6O15P3
IUPAC Name [[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-oxo-2-[3-(propanoylamino)propylamino]-3h-purine-1,7-diium-4-id-9-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 637.346 g·mol−1
Heat of Formation -3409.2 ± 16.7 kJ·mol−1
Dipole Moment 14.52 ± 1.08 D
Volume 638.53 Å 3
Surface Area 550.96 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
InChIKey OUBGKUNPLQCOCN-PMXXHBEXSA-P
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