2,3-bis(benzoyloxy)butanedioic acid--1-(adamantan-1-yl)ethan-1-amine (1/1)
Chemical Structure Depiction of
2,3-bis(benzoyloxy)butanedioic acid--1-(adamantan-1-yl)ethan-1-amine (1/1)
2,3-bis(benzoyloxy)butanedioic acid--1-(adamantan-1-yl)ethan-1-amine (1/1)
Compound characteristics
| Compound ID: | 0KPI-0008 |
| Compound Name: | 2,3-bis(benzoyloxy)butanedioic acid--1-(adamantan-1-yl)ethan-1-amine (1/1) |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C18 H14 O8 |
| Salt: | C10H15CH(CH3)NH2 |
| Smiles: | c1ccc(cc1)C(=O)OC(C(C(O)=O)OC(c1ccccc1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4603 |
| logD: | -2.8853 |
| logSw: | -1.4416 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.594 |
| InChI Key: | YONLFQNRGZXBBF-UHFFFAOYSA-N |