[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2S)-2-Formamido-4-Methylsulfanyl-Butanoate
Properties
| Property | Value |
|---|---|
| Formula | C16H23N6O9PS |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-formamido-4-methylsulfanyl-butanoate |
| Molecular Mass | 506.427 g·mol−1 |
| Heat of Formation | -1721.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.79 ± 1.08 D |
| Volume | 538.06 Å 3 |
| Surface Area | 392.9 Å 2 |
| HOMO Energy | -8.43 ± 0.55 eV |
| LUMO Energy | -1.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CZFNWWIHOKWIRQ-OPYVMVOTSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |