(2S)-2-Amino-4-[{[(2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}(Methyl)Sulfonio]Butanoate
Properties
| Property | Value |
|---|---|
| Formula | C15H22N6O5S |
| IUPAC Name | (2s)-2-amino-4-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate |
| Molecular Mass | 398.437 g·mol−1 |
| Heat of Formation | -566.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.39 ± 1.08 D |
| Volume | 440.11 Å 3 |
| Surface Area | 347.56 Å 2 |
| HOMO Energy | -8.27 ± 0.55 eV |
| LUMO Energy | -0.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MEFKEPWMEQBLKI-FCKMPRQPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |