[[(2R,3S,4R,5R)-4-Amino-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C9H18N4O13P3+ |
IUPAC Name | [[(2r,3s,4r,5r)-4-amino-5-(6-amino-2-oxo-1h-pyrimidin-3-ium-3-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
Molecular Mass | 483.180 g·mol−1 |
Heat of Formation | -3205.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.74 ± 1.08 D |
Volume | 453.36 Å 3 |
Surface Area | 382.78 Å 2 |
HOMO Energy | -9.59 ± 0.55 eV |
LUMO Energy | -1.40 ± eV |
Point Group Symmetry | C1 |
InChIKey | LAYSTFWDLROLBH-XVFCMESISA-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 |