1QW
Summary
| Name: | (2R)-2,3-dihydroxypropyl dodecanoate |
| Synonyms: | 1-Lauroyl-rac-glycerol |
| Formula: | C15 H30 O4 |
| Formal charge: | 0 |
| Formula weight: | 274.396 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2,3-dihydroxypropyl dodecanoate |
| OpenEye OEToolkits | 1.7.6 | [(2R)-2,3-bis(oxidanyl)propyl] dodecanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(O)CO)CCCCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | ARIWANIATODDMH-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCCCCC(=O)OC[C@H](O)CO |
| SMILES | CACTVS | 3.370 | CCCCCCCCCCCC(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCC(=O)OC[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCC(=O)OCC(CO)O |
