4-Amino-7-(β-D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbothioamide
Properties
| Property | Value |
|---|---|
| Formula | C12H15N5O4S |
| IUPAC Name | 4-amino-7-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidin-7-ium-5-carbothioamide |
| Molecular Mass | 325.344 g·mol−1 |
| Heat of Formation | -446.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.95 ± 1.08 D |
| Volume | 353.8 Å 3 |
| Surface Area | 305.41 Å 2 |
| HOMO Energy | -8.63 ± 0.55 eV |
| LUMO Energy | 1.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XZOKDXWQSCIKCM-HBXVMFDYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |