4-Amino-5-Bromo-1-(5-O-Phosphono-β-D-Arabinofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H13BrN3O8P
IUPAC Name [(2r,3s,4s,5r)-5-(4-amino-5-bromo-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 402.093 g·mol−1
Heat of Formation -1638.8 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 351.91 Å 3
Surface Area 292.08 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey KOHPTSGPCYTYFB-MNCSTQPFSA-O
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Elements C H O N P Br