[[(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
Properties
Property | Value |
---|---|
Formula | C9H16N4O16P3+ |
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 | 529.162 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 |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |