[(2R,3Ar,4R,6R,6Ar)-4-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-2-Hydroxy-2-Oxo-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-6-Yl]Methyl [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Formula C19H24N7O18P3
IUPAC Name [(2r,3ar,4r,6r,6ar)-4-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 731.351 g·mol−1
Heat of Formation -3777.0 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 698.37 Å 3
Surface Area 571.09 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey YUPDABSSKSILIU-VMIOUTBZSA-R
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