[(2R,3S,4R,5R)-5-(2-Amino-8-Bromo-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate

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Formula C10H15BrN5O8P+
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-8-bromo-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 444.133 g·mol−1
Heat of Formation -1448.7 ± 16.7 kJ·mol−1
Dipole Moment 15.84 ± 1.08 D
Volume 391.3 Å 3
Surface Area 329.51 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey PIQKHVDCBWVPLW-UMMCILCDSA-P
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Elements C H O N P Br