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

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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 -1594.0 ± 16.7 kJ·mol−1
Dipole Moment 9.55 ± 1.08 D
Volume 327.18 Å 3
Surface Area 287.74 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey ONSQLDCEJIIUJS-XVFCMESISA-N
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