2-Amino-4-[{[(2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}(Methyl)Sulfonio]-2-Methylbutanoate
Properties
| Property | Value |
|---|---|
| Formula | C16H25N6O5S+ |
| IUPAC Name | [(3r)-3-amino-3-carboxy-butyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium |
| Molecular Mass | 413.472 g·mol−1 |
| Heat of Formation | 1602.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.26 ± 1.08 D |
| Volume | 442.72 Å 3 |
| Surface Area | 365.27 Å 2 |
| HOMO Energy | -9.65 ± 0.55 eV |
| LUMO Energy | -3.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DLGWCGJLTGONLY-SCBCRGMRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C O N |