5'-{[2-({N-[(2-Amino-7,7-Dimethyl-4-Oxo-1,4,7,8-Tetrahydro-6-Pteridinyl)Carbonyl]Glycyl}Amino)Ethyl]Sulfonyl}-5'-Deoxyadenosine
Properties
| Property | Value |
|---|---|
| Formula | C23H30N12O8S |
| IUPAC Name | 2-amino-n-[2-[2-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfonyl]ethylamino]-2-oxo-ethyl]-7,7-dimethyl-4-oxo-1,8-dihydropteridine-3,5-diium-8a-ide-6-carboxamide |
| Molecular Mass | 634.625 g·mol−1 |
| Heat of Formation | -1025.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.99 ± 1.08 D |
| Volume | 681.11 Å 3 |
| Surface Area | 477.94 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | -1.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QCWCABDSXQYDST-GWKRVTOESA-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 |