(2R,3R,4S,5R)-2-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydro-3-Furanyl (2S)-2-Acetamido-3-Phenylpropanoate (Non-Preferred Name)
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 | -732.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.11 ± 1.08 D |
| Volume | 531.89 Å 3 |
| Surface Area | 392.37 Å 2 |
| HOMO Energy | -9.05 ± 0.55 eV |
| LUMO Energy | -0.53 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | URWOATHFLHPANF-SWQDORGXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |