[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4S,5S,6R)-5-[[(1S)-1-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylsulfanyl]Ethyl]Amino]-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C39H66N13O30P5S+ |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s,5s,6r)-5-[[(1s)-1-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]ethyl]amino]-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl] hydrogen phosphate |
| Molecular Mass | 1383.944 g·mol−1 |
| Heat of Formation | -6559.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.69 ± 1.08 D |
| Volume | 1409.96 Å 3 |
| Surface Area | 1149.54 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | -1.47 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NPHCGCRDHWPVRC-NLBQBQJKSA-Q |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |