4-Amino-7-Pentofuranosyl-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C12H13N5O4 |
| 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-carbonitrile |
| Molecular Mass | 291.263 g·mol−1 |
| Heat of Formation | -394.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.33 ± 1.08 D |
| Volume | 316.53 Å 3 |
| Surface Area | 282.1 Å 2 |
| HOMO Energy | -9.17 ± 0.55 eV |
| LUMO Energy | -0.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XOKJUSAYZUAMGJ-WJOUQXRDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |