5'-S-[1-(2-{[(2-Amino-7,7-Dimethyl-4-Oxo-1,4,7,8-Tetrahydro-6-Pteridinyl)Carbonyl]Amino}Ethyl)-4-Piperidinyl]-5'-Thioadenosine
Properties
| Property | Value |
|---|---|
| Formula | C26H36N12O5S |
| IUPAC Name | 2-amino-n-[2-[4-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]-1-piperidyl]ethyl]-7,7-dimethyl-4-oxo-1,8-dihydropteridine-6-carboxamide |
| Molecular Mass | 628.706 g·mol−1 |
| Heat of Formation | -483.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.60 ± 1.08 D |
| Volume | 711.33 Å 3 |
| Surface Area | 534.7 Å 2 |
| HOMO Energy | -8.29 ± 0.55 eV |
| LUMO Energy | -0.89 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LXHMIPYFQUZUMS-FUKGTJLDSA-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 |