[[(2R,3S,5R)-5-[2-(4-Butylanilino)-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H30N5O13P3+ |
IUPAC Name | [[(2r,3s,5r)-5-[2-(4-butylanilino)-6-oxo-3h-purine-1,7-diium-4-id-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
Molecular Mass | 641.399 g·mol−1 |
Heat of Formation | -3015.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.32 ± 1.08 D |
Volume | 660.93 Å 3 |
Surface Area | 506.7 Å 2 |
HOMO Energy | -9.06 ± 0.55 eV |
LUMO Energy | -1.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | GPOKAZLJCWCBEY-ARFHVFGLSA-P |
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 |