N-[(E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-Purine-1,3,7-Triium-9-Yl-Tetrahydrofuran-2-Yl]Allyl]-2,3-Dihydroxy-5-Nitro-Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C19H20N6O8 |
| IUPAC Name | n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-purine-1,3,7-triium-9-yl-tetrahydrofuran-2-yl]allyl]-2,3-dihydroxy-5-nitro-benzamide |
| Molecular Mass | 460.397 g·mol−1 |
| Heat of Formation | -686.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.91 ± 1.08 D |
| Volume | 484.26 Å 3 |
| Surface Area | 387.5 Å 2 |
| HOMO Energy | -9.56 ± 0.55 eV |
| LUMO Energy | 1.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SBAQAQAFFWNLCV-QFIYFXBNSA-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 |