(2S,4Ar,6R,7R,7As)-6-[6-Amino-8-[(4-Fluorophenyl)Methylsulfanyl]Purine-1,3,7-Triium-9-Yl]-2-Oxo-2-Sulfanyl-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol
Properties
| Property | Value |
|---|---|
| Formula | C17H19FN5O5PS2 |
| IUPAC Name | (2s,4ar,6r,7r,7as)-6-[6-amino-8-[(4-fluorophenyl)methylsulfanyl]purine-1,3,7-triium-9-yl]-2-oxo-2-sulfanyl-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
| Molecular Mass | 487.465 g·mol−1 |
| Heat of Formation | -837.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.15 ± 1.08 D |
| Volume | 498.58 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 | SANHQYHPKMJQHA-BVGSDMBWSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N P S |