Showing Metabocard for polyneuridine aldehyde (BASm0000758)
| Common Name | Polyneuridine aldehyde |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C21H22N2O3 |
| Average Mass | 350.41800 |
| Monoisotopic Mass | 350.16304 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C/C=C1/CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@H]1[C@@]3(C=O)C(=O)OC |
| InChI Identifier | InChI=1S/C21H22N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,11,15,17-18,22H,8-10H2,1-2H3/b12-3-/t15-,17-,18-,21+/m0/s1 |
| InChI Key | BRJNQOSDCDNITN-QZQCDTMFSA-N |
| CHEBI ID | CHEBI:16829 |
| MiMeDB ID | MMDBc0053673 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |