3-[[9-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-[(Hydroxy-Oxido-Phosphoryl)Oxymethyl]Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]-4-Hydroxy-4-Oxo-Butanoate
Properties
| Property | Value |
|---|---|
| Formula | C14H18N5O11P |
| IUPAC Name | (2s)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]butanedioic acid |
| Molecular Mass | 463.293 g·mol−1 |
| Heat of Formation | -2002.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.83 ± 1.08 D |
| Volume | 476.07 Å 3 |
| Surface Area | 402.29 Å 2 |
| HOMO Energy | -9.39 ± 0.55 eV |
| LUMO Energy | -0.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OFBHPPMPBOJXRT-BLXDLRLXSA-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 |