[(2S,3R,4R,5R)-5-(6-Amino-2-Ethylsulfanyl-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C12H18N5O7PS |
| IUPAC Name | [(2s,3r,4r,5r)-5-(6-amino-2-ethylsulfanyl-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 407.339 g·mol−1 |
| Heat of Formation | -1366.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.78 ± 1.08 D |
| Volume | 422.54 Å 3 |
| Surface Area | 354.46 Å 2 |
| HOMO Energy | -8.50 ± 0.55 eV |
| LUMO Energy | -0.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ADQGQJVQDBPSIL-WOIOKPISSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |