[(1S,4R,6R)-4-(4-Amino-2-Oxo-Pyrimidin-1-Ium-3-Id-1-Yl)-6-Hydroxy-Cyclohex-2-En-1-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H17N3O6P+
IUPAC Name [(1s,4r,6r)-4-(4-amino-2-oxo-pyrimidin-1-ium-3-id-1-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl dihydrogen phosphate
Molecular Mass 318.243 g·mol−1
Heat of Formation -1256.1 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 341.2 Å 3
Surface Area 301.22 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey FKEUOBXNNLEVNG-XHNCKOQMSA-N
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