[(2R,3S,4R,5R)-5-[6-(2-Furylmethylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C15H20N5O8P |
| IUPAC Name | [(2r,3s,4r,5r)-5-[6-(2-furylmethylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 429.322 g·mol−1 |
| Heat of Formation | -1308.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.89 ± 1.08 D |
| Volume | 446.87 Å 3 |
| Surface Area | 400.78 Å 2 |
| HOMO Energy | -8.99 ± 0.55 eV |
| LUMO Energy | -0.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CPYFSTNYHHLYOZ-SDBHATRESA-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 |