5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl thiophene-2-sulfonate
Chemical Structure Depiction of
5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl thiophene-2-sulfonate
5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl thiophene-2-sulfonate
Compound characteristics
| Compound ID: | 8014-9017 |
| Compound Name: | 5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl thiophene-2-sulfonate |
| Molecular Weight: | 554.72 |
| Molecular Formula: | C30 H34 O6 S2 |
| Smiles: | COc1ccc2c(c1)OC1(CCCCC1C21CCCCC1)c1ccc(cc1OS(c1cccs1)(=O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8768 |
| logD: | 6.8768 |
| logSw: | -5.8013 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.404 |
| InChI Key: | YDHFZUWZDARWKT-UHFFFAOYSA-N |