[[(1S)-2-[[(2S,3S,4R,5R)-5-[6-(Dimethylamino)Purine-1,3,7-Triium-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Amino]-1-[(4-Methoxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]Phosphonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H32N7O8P |
| IUPAC Name | [[(1s)-2-[[(2s,3s,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]amino]phosphonic acid |
| Molecular Mass | 553.505 g·mol−1 |
| Heat of Formation | -1383.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.37 ± 1.08 D |
| Volume | 605.91 Å 3 |
| Surface Area | 506.24 Å 2 |
| HOMO Energy | -8.73 ± 0.55 eV |
| LUMO Energy | 2.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HWFMZHHYEQOWAO-NVWDDTSBSA-O |
| 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 |