9-(2-Deoxy-5-O-Phosphonopentofuranosyl)-2-[(3-Sulfanylpropyl)Amino]-3,9-Dihydro-6H-Purin-6-One
Properties
| Property | Value |
|---|---|
| Formula | C13H20N5O7PS |
| IUPAC Name | [(2r,3s,5r)-3-hydroxy-5-[6-oxo-2-(3-sulfanylpropylamino)-3h-purine-1,7-diium-4-id-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 421.366 g·mol−1 |
| Heat of Formation | 550.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.78 ± 1.08 D |
| Volume | 397.29 Å 3 |
| Surface Area | 375.9 Å 2 |
| HOMO Energy | -9.00 ± 0.55 eV |
| LUMO Energy | -3.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WHYGVXCTIDHHFD-DJLDLDEBSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P S C O N |