[[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-4-Azido-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C9H16N6O13P3
IUPAC Name [[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 509.177 g·mol−1
Heat of Formation -2874.4 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 472.41 Å 3
Surface Area 370.68 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
InChIKey AUZPRYHFWHKGKL-XVFCMESISA-O
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