(2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-[6-[(3-Chlorophenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H27ClN6O5S |
| IUPAC Name | (2s)-2-amino-4-[[(2s,3s,4r,5r)-5-[6-[(3-chlorophenyl)methylamino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid |
| Molecular Mass | 510.994 g·mol−1 |
| Heat of Formation | -595.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.23 ± 1.08 D |
| Volume | 561.27 Å 3 |
| Surface Area | 492.97 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | 2.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UFEWAWNDKFPDRK-SWQDORGXSA-O |
| QR Code | Generate QR Code |
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| Elements | C Cl H O N S |