[(2S,5R)-2-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-5-(Phosphonooxymethyl)-2,5-Dihydrofuran-3-Yl] 4-Benzoylbenzoate
Properties
| Property | Value |
|---|---|
| Formula | C24H22N5O9P+ |
| IUPAC Name | [(2s,5r)-2-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-5-(phosphonooxymethyl)-2,5-dihydrofuran-3-yl] 4-benzoylbenzoate |
| Molecular Mass | 555.433 g·mol−1 |
| Heat of Formation | -1223.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.20 ± 1.08 D |
| Volume | 585.27 Å 3 |
| Surface Area | 482.78 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -1.53 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BPFIHGJDEARLNW-ZHRRBRCNSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |