2-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)-2-(hydroxymethyl)propane-1,3-diol
Chemical Structure Depiction of
2-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)-2-(hydroxymethyl)propane-1,3-diol
2-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)-2-(hydroxymethyl)propane-1,3-diol
Compound characteristics
| Compound ID: | 8013-8299 |
| Compound Name: | 2-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)-2-(hydroxymethyl)propane-1,3-diol |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C12 H19 N3 O7 |
| Smiles: | C1C=CC2(CC1(CN(C2)C(CO)(CO)CO)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.6921 |
| logD: | -0.6921 |
| logSw: | -0.5595 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.624 |
| InChI Key: | MBLCNFKZSXNSTQ-UHFFFAOYSA-N |