2-[(2S,3R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]-4-Fluorosulfonyl-Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C17H16FN5O6S |
| IUPAC Name | 2-[(2s,3r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]-4-fluorosulfonyl-benzoic acid |
| Molecular Mass | 437.402 g·mol−1 |
| Heat of Formation | -907.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.16 ± 1.08 D |
| Volume | 448.48 Å 3 |
| Surface Area | 384.34 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | -2.07 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CZQIFKUMGIOBGL-JHJVBQTASA-O |
| QR Code | Generate QR Code |
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| Elements | C F H O N S |