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

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Properties Simple | Detailed

Formula C10H13BrN5O8P
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-8-bromo-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 442.117 g·mol−1
Heat of Formation -1468.1 ± 16.7 kJ·mol−1
Dipole Moment 9.48 ± 1.08 D
Volume 390.54 Å 3
Surface Area 340.77 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey VEFFFCWOTYJQTN-UMMCILCDSA-P
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Elements C H O N P Br