Showing Metabocard for (3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one (BASm0008491)
| Common Name | (3s,5r,10r,12s,14s,15r,16r)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C22H44O6 |
| Average Mass | 404.58800 |
| Monoisotopic Mass | 404.31379 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)C(C)=O |
| InChI Identifier | InChI=1S/C22H44O6/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-16,18-22,24-28H,5-14H2,1-4H3/t15-,16+,18+,19+,20-,21-,22+/m0/s1 |
| InChI Key | NYWGYGGFNSPMLY-GXKXQWPPSA-N |
| CHEBI ID | CHEBI:133941 |
| MiMeDB ID | MMDBc0054918 |
| 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 |