[(2R,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl] (2S)-2-Acetamido-3-Phenyl-Propanoate
Properties
| Property | Value |
|---|---|
| Formula | C21H24N6O6 |
| IUPAC Name | [(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] (2s)-2-acetamido-3-phenyl-propanoate |
| Molecular Mass | 456.452 g·mol−1 |
| Heat of Formation | -746.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.62 ± 1.08 D |
| Volume | 525.69 Å 3 |
| Surface Area | 387.9 Å 2 |
| HOMO Energy | -9.10 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YLCNKNJGXSKSSH-SWQDORGXSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |