9-[(4Xi)-5-O-{[(2,3-Dihydroxybenzoyl)Azanidyl]Sulfonyl}-D-Erythro-Pentofuranosyl]-9H-Purin-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C17H17N6O9S- |
| IUPAC Name | [(2z)-1-cyano-2-(cyanoamino)-2-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-yl]imino-ethyl]-methylidyne-ammonium; 2-(4-hydroxybut-3-ynyl)-3-[(2s)-2-oxidooxathiaziridin-2-ium-3-yl]prop-1-ene-1,3-dione |
| Molecular Mass | 481.417 g·mol−1 |
| Heat of Formation | 352.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.72 ± 1.08 D |
| Volume | 458.31 Å 3 |
| Surface Area | 402.42 Å 2 |
| HOMO Energy | -9.72 ± 0.55 eV |
| LUMO Energy | -3.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OMTCCEVOVWMPRU-FPYUKIRHSA-M |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C O N |