(2S,3R)-2-({[9-{(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(Phosphonooxy)Methyl]Tetrahydro-2-Furanyl}-2-(Methylsulfanyl)-9H-Purin-6-Yl]Carbamoyl}Amino)-3-Hydroxybutanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H23N6O11PS |
| IUPAC Name | (2s,3r)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2-methylsulfanyl-purin-6-yl]carbamoylamino]-3-hydroxy-butanoic acid |
| Molecular Mass | 538.426 g·mol−1 |
| Heat of Formation | -2087.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.48 ± 1.08 D |
| Volume | 549.8 Å 3 |
| Surface Area | 444.06 Å 2 |
| HOMO Energy | -8.45 ± 0.55 eV |
| LUMO Energy | -0.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CVAJCPGRFVTHBT-DWVDDHQFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |