[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-[[Hydroxy(Phosphonooxy)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] (1S)-1-Hydroxy-2,2,5,5-Tetramethyl-Pyrrole-3-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C19H31N6O11P2+ |
| IUPAC Name | [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] (1s)-1-hydroxy-2,2,5,5-tetramethyl-pyrrole-3-carboxylate |
| Molecular Mass | 581.431 g·mol−1 |
| Heat of Formation | -2240.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.14 ± 1.08 D |
| Volume | 610.36 Å 3 |
| Surface Area | 467.06 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | -1.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AXNYZTMSSBBNDY-YNEHKIRRSA-P |
| QR Code | Generate QR Code |
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| Elements | P C H O N |