ZP7
Summary
| Name: | (2S)-2,3-dihydroxypropyl hexadecanoate |
| Formula: | C19 H38 O4 |
| Formal charge: | 0 |
| Formula weight: | 330.503 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydroxypropyl hexadecanoate |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-2,3-bis(oxidanyl)propyl] hexadecanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(O)COC(=O)CCCCCCCCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | QHZLMUACJMDIAE-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCCC(=O)OCC(CO)O |
