2-Amino-6-[[2-[4-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]-1-Piperidyl]Ethylamino]Methyl]-7,7-Dimethyl-3,8-Dihydropteridine-1,5-Diium-4-One
Properties
| Property | Value |
|---|---|
| Formula | C26H40N12O4S+ |
| IUPAC Name | 2-amino-6-[[2-[4-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]-1-piperidyl]ethylamino]methyl]-7,7-dimethyl-3,8-dihydropteridine-1,5-diium-4-one |
| Molecular Mass | 616.739 g·mol−1 |
| Heat of Formation | -335.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.72 ± 1.08 D |
| Volume | 707.46 Å 3 |
| Surface Area | 557.89 Å 2 |
| HOMO Energy | -8.41 ± 0.55 eV |
| LUMO Energy | 2.48 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XGQBTDNFALSCHJ-KYKAGHOCSA-P |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |