4-chlorophenyl rel-(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate
Chemical Structure Depiction of
4-chlorophenyl rel-(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate
4-chlorophenyl rel-(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate
Compound characteristics
| Compound ID: | 3772-6493 |
| Compound Name: | 4-chlorophenyl rel-(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate |
| Molecular Weight: | 384.81 |
| Molecular Formula: | C18 H21 Cl O7 |
| Smiles: | CC1(C)O[C@H]2[C@H]([C@@H](C(=O)Oc3ccc(cc3)[Cl])O[C@H]3[C@@H]2OC(C)(C)O3)O1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5826 |
| logD: | 3.5826 |
| logSw: | -3.6888 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.461 |
| InChI Key: | WLUSHOBOGRNGTN-USRAEIGSSA-N |