1-{3-Deoxy-5-O-[(S)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl]-β-D-Erythro-Pentofuranosyl}-2-Hydroxy-2,3-Dihydro-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H17N2O14P3
IUPAC Name [hydroxy-[[(2s,4r,5r)-4-hydroxy-5-[(2r)-2-hydroxy-6-oxo-1,2-dihydropyrimidin-3-yl]tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 470.158 g·mol−1
Heat of Formation -3477.6 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 446.11 Å 3
Surface Area 354.29 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
InChIKey CVEDUOUYNXHQBA-HIORRCEOSA-N
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