[(2S,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3-[[7-(Diethylamino)-2-Oxo-Chromene-3-Carbonyl]Amino]-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C24H29N7O12P2 |
| IUPAC Name | [(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-[[7-(diethylamino)-2-oxo-chromene-3-carbonyl]amino]-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
| Molecular Mass | 669.474 g·mol−1 |
| Heat of Formation | -2345.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.91 ± 1.08 D |
| Volume | 701.74 Å 3 |
| Surface Area | 585.51 Å 2 |
| HOMO Energy | -8.56 ± 0.55 eV |
| LUMO Energy | -1.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XAOIOCVKONGQFV-ZLFGVDQTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |