5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl 4-bromobenzene-1-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 4-bromobenzene-1-sulfonate
5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl 4-bromobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8014-8250 |
| Compound Name: | 5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl 4-bromobenzene-1-sulfonate |
| Molecular Weight: | 627.6 |
| Molecular Formula: | C32 H35 Br O6 S |
| Smiles: | COc1ccc2c(c1)OC1(CCCCC1C21CCCCC1)c1ccc(cc1OS(c1ccc(cc1)[Br])(=O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.1673 |
| logD: | 8.1673 |
| logSw: | -5.875 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.386 |
| InChI Key: | GQWWLKVNDMNIRO-UHFFFAOYSA-N |