5-(2-Methoxy-2-Oxoethyl)-1-(5-O-Phosphonopentofuranosyl)-2-Thioxo-2,3-Dihydro-4(1H)-Pyrimidinone
Properties
| Property | Value |
|---|---|
| Formula | C12H17N2O10PS |
| IUPAC Name | methyl 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-4-oxo-2-thioxo-pyrimidin-5-yl]acetate |
| Molecular Mass | 412.310 g·mol−1 |
| Heat of Formation | -1998.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.04 ± 1.08 D |
| Volume | 413.97 Å 3 |
| Surface Area | 358.6 Å 2 |
| HOMO Energy | -9.02 ± 0.55 eV |
| LUMO Energy | 1.86 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RWXSPKNHAJLKOR-PNHWDRBUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |