[(2S)-3-(4-Amino-5-Bromo-2-Oxo-Pyrimidin-3-Ium-1-Yl)-2-Hydroxy-Propyl] Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C7H11BrN3O6P
IUPAC Name [(2s)-3-(4-amino-5-bromo-2-oxo-pyrimidin-3-ium-1-yl)-2-hydroxy-propyl] dihydrogen phosphate
Molecular Mass 344.057 g·mol−1
Heat of Formation -1304.7 ± 16.7 kJ·mol−1
Dipole Moment 8.44 ± 1.08 D
Volume 296.66 Å 3
Surface Area 274.78 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
InChIKey XAJSLVYUDLMLNK-BYPYZUCNSA-O
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Elements C H O N P Br