(2S)-2-Amino-4-({[(2S,3S,4R,5R)-5-{6-[(3-Chlorobenzyl)Amino]-9H-Purin-9-Yl}-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}Sulfanyl)Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H25ClN6O5S |
| 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 | 508.978 g·mol−1 |
| Heat of Formation | -555.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.86 ± 1.08 D |
| Volume | 566.04 Å 3 |
| Surface Area | 484.44 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | 2.40 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VGYBDYWAAOWMTJ-SWQDORGXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |