[(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-[[Hydroxy(4H-Imidazol-1-Ium-4-Id-3-Yl)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl]Oxy-(4H-Imidazol-1-Ium-4-Id-3-Yl)Phosphinic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H21N9O8P2+ |
| IUPAC Name | [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-[[hydroxy(4h-imidazol-1-ium-4-id-3-yl)phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-(4h-imidazol-1-ium-4-id-3-yl)phosphinic acid |
| Molecular Mass | 529.341 g·mol−1 |
| Heat of Formation | -1380.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.29 ± 1.08 D |
| Volume | 533.99 Å 3 |
| Surface Area | 419.16 Å 2 |
| HOMO Energy | -9.26 ± 0.55 eV |
| LUMO Energy | 1.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PZBAMFTUEMQLPB-QJPTWQEYSA-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 |