Showing Metabocard for 7-deoxyloganetic aldehyde (BASm0009815)
| Common Name | 7-deoxyloganetic aldehyde |
|---|---|
| Description | A cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by a formyl and methyl group, respectively (the 1R,4aS,7S,7aR-diastereomer). |
| Structure | |
| Molecular Formula | C10H14O3 |
| Average Mass | 182.21700 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@H]1CC[C@@H]2C(C=O)=CO[C@@H](O)[C@@H]21 |
| InChI Identifier | InChI=1S/C10H14O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h4-6,8-10,12H,2-3H2,1H3/t6-,8+,9+,10+/m0/s1 |
| InChI Key | VWIYAPDYXJYDDI-JZKKDOLYSA-N |
| CHEBI ID | CHEBI:141989 |
| State | Not Available |
| 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 | 0 |
| Polarizability | Not Available |