[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3R,4R,5R)-2-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Formula C19H24N7O13P
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 589.407 g·mol−1
Heat of Formation -2329.0 ± 16.7 kJ·mol−1
Dipole Moment 12.49 ± 1.08 D
Volume 596.96 Å 3
Surface Area 478.94 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey RQLJFOFNGOODLM-VMIOUTBZSA-R
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