rel-(4R,6S,7R,11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
Chemical Structure Depiction of
rel-(4R,6S,7R,11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
rel-(4R,6S,7R,11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
Compound characteristics
| Compound ID: | N036-0106 |
| Compound Name: | rel-(4R,6S,7R,11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C21 H31 N O9 |
| Smiles: | [H]C1([H])[C@](C(C)O)(C(=O)OC2CCN(C)C/C=C(/COC([C@](C)([C@]1([H])C)OC(C)=O)=O)C2=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0243 |
| logD: | -2.2424 |
| logSw: | -0.2065 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.822 |
| InChI Key: | MPJBVZKNLCGQHF-OHRGSGORSA-N |