N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]histidine
Chemical Structure Depiction of
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]histidine
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]histidine
Compound characteristics
| Compound ID: | 4533-0255 |
| Compound Name: | N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]histidine |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C13 H15 N3 O6 |
| Smiles: | CC1(C)OC(C(=CNC(Cc2c[nH]cn2)C(O)=O)C(=O)O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.4928 |
| logD: | -4.2525 |
| logSw: | -1.212 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.199 |
| InChI Key: | NQVOUYKJEYHYNQ-VIFPVBQESA-N |