rel-(5R,6R,10S)-9,10-dihydro-4H,8H-6,9-epoxy-5,10-methanotetrazolo[5,1-e][1,4,6]oxadiazonin-5(6H)-ol
Chemical Structure Depiction of
rel-(5R,6R,10S)-9,10-dihydro-4H,8H-6,9-epoxy-5,10-methanotetrazolo[5,1-e][1,4,6]oxadiazonin-5(6H)-ol
rel-(5R,6R,10S)-9,10-dihydro-4H,8H-6,9-epoxy-5,10-methanotetrazolo[5,1-e][1,4,6]oxadiazonin-5(6H)-ol
Compound characteristics
| Compound ID: | 8001-5613 |
| Compound Name: | rel-(5R,6R,10S)-9,10-dihydro-4H,8H-6,9-epoxy-5,10-methanotetrazolo[5,1-e][1,4,6]oxadiazonin-5(6H)-ol |
| Molecular Weight: | 211.18 |
| Molecular Formula: | C7 H9 N5 O3 |
| Smiles: | C1[C@H]2C3CO[C@@H](C1(Nc1nnnn12)O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.1476 |
| logD: | -1.1476 |
| logSw: | -1.0838 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.421 |
| InChI Key: | SXKHKEGNHDRJLK-JCMYIWFYSA-N |