(2S,3R)-2-[({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydro-2-Furanyl]-2-(Methylsulfanyl)-9H-Purin-6-Yl}Carbamoyl)Amino]-3-Hydroxybutanoic Acid (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C16H22N6O8S |
| IUPAC Name | (2s,3r)-2-[[9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methylsulfanyl-purin-6-yl]carbamoylamino]-3-hydroxy-butanoic acid |
| Molecular Mass | 458.446 g·mol−1 |
| Heat of Formation | -1253.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.13 ± 1.08 D |
| Volume | 491.76 Å 3 |
| Surface Area | 415.81 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | -1.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MMNYGKPAZBIRKN-QPFFVLPUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |