(2R,3R,4S,5R)-2-[6-[(2-Hydroxy-3-Iodo-5-Nitro-Phenyl)Methylsulfanyl]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Properties
| Property | Value |
|---|---|
| Formula | C17H16IN5O7S |
| IUPAC Name | (2r,3r,4s,5r)-2-[6-[(2-hydroxy-3-iodo-5-nitro-phenyl)methylsulfanyl]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
| Molecular Mass | 561.308 g·mol−1 |
| Heat of Formation | -459.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.60 ± 1.08 D |
| Volume | 498.67 Å 3 |
| Surface Area | 428.4 Å 2 |
| HOMO Energy | -8.89 ± 0.55 eV |
| LUMO Energy | -1.45 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AUKPDAZPPXJOLW-IWCJZZDYSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C I H O N S |