(2S,4Ar,6R,7R,7As)-6-[6-Amino-8-(4-Chlorophenyl)Sulfanyl-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 | C16H15ClN5O6PS |
| IUPAC Name | (2s,4ar,6r,7r,7as)-6-[6-amino-8-(4-chlorophenyl)sulfanyl-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 | 471.812 g·mol−1 |
| Heat of Formation | -932.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.02 ± 1.08 D |
| Volume | 469.89 Å 3 |
| Surface Area | 401.15 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -1.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LAVCNGWOKWIFKH-SDBHATRESA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N P S |