1-(2-O-Phosphono-β-D-Xylofuranosyl)-2,4(1H,3H)-Pyrimidinedione

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Formula C9H13N2O9P++
IUPAC Name [(2r,3r,4r,5r)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 324.181 g·mol−1
Heat of Formation -1867.3 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 324.78 Å 3
Surface Area 280.51 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey HQIDPEYTETUCNF-XVFCMESISA-P
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