6-{[(4-nitrophenyl)methyl]sulfanyl}-9-pentofuranosyl-9H-purine
Chemical Structure Depiction of
6-{[(4-nitrophenyl)methyl]sulfanyl}-9-pentofuranosyl-9H-purine
6-{[(4-nitrophenyl)methyl]sulfanyl}-9-pentofuranosyl-9H-purine
Compound characteristics
| Compound ID: | 0723-2090 |
| Compound Name: | 6-{[(4-nitrophenyl)methyl]sulfanyl}-9-pentofuranosyl-9H-purine |
| Molecular Weight: | 419.41 |
| Molecular Formula: | C17 H17 N5 O6 S |
| Smiles: | C(C1C(C(C(n2cnc3c(ncnc23)SCc2ccc(cc2)[N+]([O-])=O)O1)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0624 |
| logD: | 1.0624 |
| logSw: | -1.9344 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.255 |
| InChI Key: | DYCJFJRCWPVDHY-UHFFFAOYSA-N |