(2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Carbamoylamino]-3-Hydroxy-Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H23N6O11P |
| IUPAC Name | (2s,3r)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]carbamoylamino]-3-hydroxy-butanoic acid |
| Molecular Mass | 494.351 g·mol−1 |
| Heat of Formation | -2059.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.67 ± 1.08 D |
| Volume | 502.94 Å 3 |
| Surface Area | 434.31 Å 2 |
| HOMO Energy | -9.56 ± 0.55 eV |
| LUMO Energy | -1.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JBBYFTZMJNJLAD-DWVDDHQFSA-O |
| QR Code | Generate QR Code |
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| Elements | P C H O N |