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

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Formula C16H26N6O12P2
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-oxo-2-[3-(propanoylamino)propylamino]-1h-purine-3,7-diium-9-yl]tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 556.358 g·mol−1
Heat of Formation -2611.3 ± 16.7 kJ·mol−1
Dipole Moment 11.28 ± 1.08 D
Volume 581.13 Å 3
Surface Area 507.36 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey FTKVMFQCSOATPS-PMXXHBEXSA-P
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