(2S,4Ar,6R,7R,7As)-6-{6-Amino-8-[(4-Fluorobenzyl)Sulfanyl]-9H-Purin-9-Yl}-2-Sulfanyltetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol 2-Oxide
Properties
| Property | Value |
|---|---|
| Formula | C17H17FN5O5PS2 |
| IUPAC Name | (2s,4ar,6r,7r,7as)-6-[6-amino-8-[(4-fluorophenyl)methylsulfanyl]purin-9-yl]-2-oxo-2-sulfanyl-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
| Molecular Mass | 485.450 g·mol−1 |
| Heat of Formation | -837.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.15 ± 1.08 D |
| Volume | 498.75 Å 3 |
| Surface Area | 395.29 Å 2 |
| HOMO Energy | -8.70 ± 0.55 eV |
| LUMO Energy | -1.18 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HQPHMVRGPVFPCD-BVGSDMBWSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N P S |