(2S,4Ar,6R,7R,7As)-6-(6-Amino-8-Benzylsulfanyl-Purine-1,3,7-Triium-9-Yl)-2-Hydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol
Properties
| Property | Value |
|---|---|
| Formula | C17H18N5O6PS |
| IUPAC Name | (2s,4ar,6r,7r,7as)-6-(6-amino-8-benzylsulfanyl-purine-1,3,7-triium-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
| Molecular Mass | 451.394 g·mol−1 |
| Heat of Formation | -911.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.53 ± 1.08 D |
| Volume | 465.93 Å 3 |
| Surface Area | 399.71 Å 2 |
| HOMO Energy | -8.65 ± 0.55 eV |
| LUMO Energy | -1.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YSKZUHVBLYYKHK-XNIJJKJLSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |