N-{(2E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(9H-Purin-9-Yl)Tetrahydro-2-Furanyl]-2-Propen-1-Yl}-2,3-Dihydroxy-5-Nitrobenzamide
Properties
| Property | Value |
|---|---|
| Formula | C19H18N6O8 |
| IUPAC Name | n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-purin-9-yl-tetrahydrofuran-2-yl]allyl]-2,3-dihydroxy-5-nitro-benzamide |
| Molecular Mass | 458.382 g·mol−1 |
| Heat of Formation | -654.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.65 ± 1.08 D |
| Volume | 489.98 Å 3 |
| Surface Area | 411.46 Å 2 |
| HOMO Energy | -9.63 ± 0.55 eV |
| LUMO Energy | -1.45 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CNQHTUXYFHTEGE-QFIYFXBNSA-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 |