[(2R,3S,4R,5R)-5-[2-Amino-6-Oxo-8-(4-Phenylanilino)-3H-Purine-1,7-Diium-4-Id-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C22H25N6O8P+ |
| IUPAC Name | [(2r,3s,4r,5r)-5-[2-amino-6-oxo-8-(4-phenylanilino)-3h-purine-1,7-diium-4-id-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 532.443 g·mol−1 |
| Heat of Formation | -1244.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 16.76 ± 1.08 D |
| Volume | 557.56 Å 3 |
| Surface Area | 474.78 Å 2 |
| HOMO Energy | -7.96 ± 0.55 eV |
| LUMO Energy | -0.78 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BFKVMQPLRGWAMP-WVSUBDOOSA-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 |