[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Phosphate

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Formula C19H26N7O18P3
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [dihydroxyphosphoryloxy(hydroxy)phosphoryl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 733.367 g·mol−1
Heat of Formation -3911.9 ± 16.7 kJ·mol−1
Dipole Moment 12.03 ± 1.08 D
Volume 700.33 Å 3
Surface Area 496.58 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
InChIKey BSOFHAKJEKMWPE-DRUHQBQSSA-N
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