2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8-[(1-Methyl-6-Phenyl-Imidazo[4,5-B]Pyridine-3,4-Diium-7A-Id-2-Yl)Amino]-3H-Purine-1,7-Diium-4-Id-6-One
Properties
| Property | Value |
|---|---|
| Formula | C23H27N9O4+ |
| IUPAC Name | 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[(1-methyl-6-phenyl-imidazo[4,5-b]pyridine-3,4-diium-7a-id-2-yl)amino]-3h-purine-1,7-diium-4-id-6-one |
| Molecular Mass | 493.518 g·mol−1 |
| Heat of Formation | -44.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.93 ± 1.08 D |
| Volume | 541.51 Å 3 |
| Surface Area | 450.24 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | -0.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SBQVQSDDPCUBQL-ARFHVFGLSA-P |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |