2-(Methylsulfanyl)-7-(5-O-Phosphono-β-D-Ribofuranosyl)-1,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One
Properties
| Property | Value |
|---|---|
| Formula | C12H16N3O8PS |
| IUPAC Name | [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-methylsulfanyl-4-oxo-5,6-dihydro-1h-pyrrolo[2,3-d]pyrimidine-2,3,4a,5,6,7a-hexaid-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 393.310 g·mol−1 |
| Heat of Formation | -1515.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.13 ± 1.08 D |
| Volume | 399.57 Å 3 |
| Surface Area | 350.41 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | -0.58 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NZPSMPRYPRQFKK-KCGFPETGSA-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 |