(2R,3R,4S,5S)-2-(6-Amino-9H-Purin-9-Yl)-5-{[(3-Nitrobenzyl)Disulfanyl]Methyl}Tetrahydro-3,4-Furandiol
Properties
| Property | Value |
|---|---|
| Formula | C17H18N6O5S2 |
| IUPAC Name | (2r,3r,4s,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[[(3-nitrophenyl)methyldisulfanyl]methyl]tetrahydrofuran-3,4-diol |
| Molecular Mass | 450.492 g·mol−1 |
| Heat of Formation | -243.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.31 ± 1.08 D |
| Volume | 483.09 Å 3 |
| Surface Area | 358.98 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | 1.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UWYQTICCMFSWOE-LSCFUAHRSA-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 |