A1CB5
Summary
| Name: | (2S)-2,3-dihydroxypropyl heptadecanoate |
| Formula: | C20 H40 O4 |
| Formal charge: | 0 |
| Formula weight: | 344.529 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-2,3-dihydroxypropyl heptadecanoate |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{S})-2,3-bis(oxidanyl)propyl] heptadecanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC(O)COC(=O)CCCCCCCCCCCCCCCC |
| InChI | InChI | 1.06 | InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h19,21-22H,2-18H2,1H3/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | SVUQHVRAGMNPLW-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCCCCCCCCCCC(=O)OCC(CO)O |
