3-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)Pentofuranosyl]-3,9-Dihydroimidazo[2,1-I]Purin-6-Ium
Properties
| Property | Value |
|---|---|
| Formula | C12H17N5O13P3+ |
| IUPAC Name | [[(2s,3r,4s,5s)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purine-1,4-diium-9a-id-3-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 532.210 g·mol−1 |
| Heat of Formation | -1562.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.61 ± 1.08 D |
| Volume | 468.59 Å 3 |
| Surface Area | 378.04 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | -2.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RARRMNKESCMTCG-WOUKDFQISA-P |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |