[(2R,3R,4R,5R)-5-[[[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxymethyl]-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-Tetrahydrofuran-3-Yl] (2S)-2-Amino-3-Phenyl-Propanoate
Properties
| Property | Value |
|---|---|
| Formula | C28H34N9O12P+ |
| IUPAC Name | [(2r,3r,4r,5r)-5-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-tetrahydrofuran-3-yl] (2s)-2-amino-3-phenyl-propanoate |
| Molecular Mass | 719.596 g·mol−1 |
| Heat of Formation | -2022.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.43 ± 1.08 D |
| Volume | 769.51 Å 3 |
| Surface Area | 512.3 Å 2 |
| HOMO Energy | -9.30 ± 0.55 eV |
| LUMO Energy | -0.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PVNMCLBWPHTBOY-YFRPHIFASA-P |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |