(2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-2-Methylsulfanyl-Purine-1,3,7-Triium-6-Yl]Carbamoylamino]-3-Hydroxy-Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H22N6O8S |
| IUPAC Name | (2s,3r)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methylsulfanyl-purine-1,3,7-triium-6-yl]carbamoylamino]-3-hydroxy-butanoic acid |
| Molecular Mass | 458.446 g·mol−1 |
| Heat of Formation | -1213.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.93 ± 1.08 D |
| Volume | 494.36 Å 3 |
| Surface Area | 426.37 Å 2 |
| HOMO Energy | -8.71 ± 0.55 eV |
| LUMO Energy | -1.03 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MYETWSZVWPSNJC-DWVDDHQFSA-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 |