[(2R,3S,5R)-5-(2-Amino-5-Methyl-4-Oxo-Pyrimidin-1-Ium-5-Id-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H17N3O7P+
IUPAC Name [(2r,3s,5r)-5-(2-amino-5-methyl-4-oxo-pyrimidin-1-ium-5-id-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 322.232 g·mol−1
Heat of Formation -1438.1 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 338.11 Å 3
Surface Area 307.95 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
InChIKey ZECPEEBTUQBAHU-XLPZGREQSA-O
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