[[[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[6-Oxo-2-[3-(Propanoylamino)Propylamino]-3H-Purine-1,7-Diium-4-Id-9-Yl]Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Phosphonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H30N7O14P3+ |
| IUPAC Name | [[[[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-oxo-2-[3-(propanoylamino)propylamino]-3h-purine-1,7-diium-4-id-9-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid |
| Molecular Mass | 637.369 g·mol−1 |
| Heat of Formation | -3177.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.49 ± 1.08 D |
| Volume | 645.45 Å 3 |
| Surface Area | 542.98 Å 2 |
| HOMO Energy | -8.96 ± 0.55 eV |
| LUMO Energy | -1.61 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NITWJWVYFPCBML-PMXXHBEXSA-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 |