6-amino-9-(2-{4-[(propan-2-yl)oxy]phenoxy}ethyl)-9H-purine-8-sulfonic acid
Chemical Structure Depiction of
6-amino-9-(2-{4-[(propan-2-yl)oxy]phenoxy}ethyl)-9H-purine-8-sulfonic acid
6-amino-9-(2-{4-[(propan-2-yl)oxy]phenoxy}ethyl)-9H-purine-8-sulfonic acid
Compound characteristics
| Compound ID: | 7162-0293 |
| Compound Name: | 6-amino-9-(2-{4-[(propan-2-yl)oxy]phenoxy}ethyl)-9H-purine-8-sulfonic acid |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C16 H19 N5 O5 S |
| Smiles: | CC(C)Oc1ccc(cc1)OCCn1c(nc2c(N)ncnc12)S(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0273 |
| logD: | -13.5362 |
| logSw: | -2.003 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.869 |
| InChI Key: | NUERZSMYFZXULO-UHFFFAOYSA-N |