2-[2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Oxyacetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C12H16N5O9P |
| IUPAC Name | 2-[2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]oxyacetic acid |
| Molecular Mass | 405.257 g·mol−1 |
| Heat of Formation | -1645.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.99 ± 1.08 D |
| Volume | 408.96 Å 3 |
| Surface Area | 367.0 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -0.47 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ASWUPEWLIGWWQM-RRKCRQDMSA-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 |