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

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Properties Simple | Detailed

Formula C9H14N3O8P
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-4-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 323.197 g·mol−1
Heat of Formation -1588.5 ± 16.7 kJ·mol−1
Dipole Moment 10.50 ± 1.08 D
Volume 325.39 Å 3
Surface Area 295.59 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey UCGIFDPHEHRURH-XVFCMESISA-O
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