5'-S-[1-(2-{[(2-Amino-7,7-Dimethyl-4-Oxo-1,4,7,8-Tetrahydro-6-Pteridinyl)Methyl]Amino}Ethyl)-4-Piperidinyl]-5'-Thioadenosine
Properties
| Property | Value |
|---|---|
| Formula | C26H38N12O4S |
| IUPAC Name | [(5e)-2-amino-5-[1-[(e)-2-[4-[(2z,4z)-5-(6-aminopurine-1,3,7-triium-9-yl)-2,4-dihydroxy-penta-2,4-dienyl]sulfanylpyridin-4-id-1-yl]ethyliminiomethyl]but-2-ynylimino]-6-oxo-1h-pyrimidin-3-ium-4-yl]azanide; hydron; hydrate |
| Molecular Mass | 614.723 g·mol−1 |
| Heat of Formation | 3490.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.54 ± 1.08 D |
| Volume | 617.21 Å 3 |
| Surface Area | 549.33 Å 2 |
| HOMO Energy | -9.22 ± 0.55 eV |
| LUMO Energy | -2.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SQZWJXDKQKNJEE-KYKAGHOCSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C S O N |