(2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(6-Amino-8-Azido-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Methyl-Sulfonio]Butanoate
Properties
| Property | Value |
|---|---|
| Formula | C15H23N9O5S |
| IUPAC Name | (2s)-2-amino-4-[[(2s,3s,4r,5r)-5-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate |
| Molecular Mass | 441.465 g·mol−1 |
| Heat of Formation | -226.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.33 ± 1.08 D |
| Volume | 475.86 Å 3 |
| Surface Area | 373.73 Å 2 |
| HOMO Energy | -8.33 ± 0.55 eV |
| LUMO Energy | -1.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AMZLIPYVZYLTSA-WFMPWKQPSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |