7-(4-Carboxyphenyl)-6,7-Dihydroxy-3-(5-O-Phosphono-β-D-Ribofuranosyl)-3,4,6,7-Tetrahydro-9H-Imidazo[1,2-A]Purin-9-One
Properties
| Property | Value |
|---|---|
| Formula | C19H20N5O12P |
| IUPAC Name | 4-[(6s,7r)-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-6,7-dihydroxy-9-oxo-4,6-dihydroimidazo[1,2-a]purin-1-ium-3a-id-7-yl]benzoic acid |
| Molecular Mass | 541.362 g·mol−1 |
| Heat of Formation | 336.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.50 ± 1.08 D |
| Volume | 521.5 Å 3 |
| Surface Area | 443.18 Å 2 |
| HOMO Energy | -9.73 ± 0.55 eV |
| LUMO Energy | -4.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YZXNLRWRPOWVCC-HUQLJJDQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |