(3As,4R,9S,10As)-2-Ammonio-4-[(Carbamoyloxy)Methyl]-5,10,10-Trihydroxy-6-Iminio-3A,4,5,6,9,10-Hexahydro-1H,8H-Pyrrolo[1,2-C]Purin-9-Yl Sulfate
Properties
| Property | Value |
|---|---|
| Formula | C10H17N7O9S |
| IUPAC Name | [(4r,9s,10as)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate |
| Molecular Mass | 411.348 g·mol−1 |
| Heat of Formation | -1292.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.43 ± 1.08 D |
| Volume | 404.36 Å 3 |
| Surface Area | 336.61 Å 2 |
| HOMO Energy | -9.53 ± 0.55 eV |
| LUMO Energy | -0.14 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CETRDCWBMBILAL-ADBWNOPLSA-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 |