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(2R)-2,3-dihydroxypropyl dodecanoate
| Created: | 2013-05-01 |
| Last modified: | 2021-03-01 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 49 |
| Chiral Atom Count | 1 |
| Bond Count | 48 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (2R)-2,3-dihydroxypropyl dodecanoate |
| Synonyms | 1-Lauroyl-rac-glycerol |
| Systematic Name (OpenEye OEToolkits) | [(2R)-2,3-bis(oxidanyl)propyl] dodecanoate |
| Formula | C15 H30 O4 |
| Molecular Weight | 274.396 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(O)CO)CCCCCCCCCCC |
| SMILES | CACTVS | 3.370 | CCCCCCCCCCCC(=O)OC[CH](O)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCC(=O)OCC(CO)O |
| Canonical SMILES | CACTVS | 3.370 | CCCCCCCCCCCC(=O)OC[C@H](O)CO |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCC(=O)OC[C@@H](CO)O |
| 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 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 71598538 |
| ChEBI | CHEBI:75528 |
