[(1R)-2-[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-1-[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Ethyl] Dihydrogen Phosphate

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Formula C19H24N7O12P++
IUPAC Name [(1r)-2-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl] dihydrogen phosphate
Molecular Mass 573.407 g·mol−1
Heat of Formation -2138.2 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 589.16 Å 3
Surface Area 478.8 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey RUBULRDRXIJCRW-GRMSTWJFSA-Q
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