[(2S,3S,4R,5R)-3-[[(2S)-2-Amino-3-(4-Methoxyphenyl)Propanoyl]Amino]-5-[6-(Dimethylamino)Purine-1,3,7-Triium-9-Yl]-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C22H32N7O8P |
| IUPAC Name | [(2s,3s,4r,5r)-3-[[(2s)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 553.505 g·mol−1 |
| Heat of Formation | -1398.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.37 ± 1.08 D |
| Volume | 607.87 Å 3 |
| Surface Area | 517.05 Å 2 |
| HOMO Energy | -8.57 ± 0.55 eV |
| LUMO Energy | -0.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QCGXJFVNHJBAGB-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 |