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

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Properties Simple | Detailed

Formula C9H15N4O16P3
IUPAC Name [[(2r,3s,4r,5r)-5-(4-amino-5-nitro-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 528.154 g·mol−1
Heat of Formation -3445.0 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 470.72 Å 3
Surface Area 385.2 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey BNMHCQYROMFYBB-UAKXSSHOSA-O
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