[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(5-Bromo-2,4-Dioxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C19H23BrN7O12P++
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 652.303 g·mol−1
Heat of Formation -2115.5 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 610.81 Å 3
Surface Area 423.47 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey USKYHNCKYWVAAO-PGLZXATESA-Q
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Elements C H O N P Br