DDR
(2S)-3-hydroxypropane-1,2-diyl didecanoate
| Created: | 2007-10-04 |
| Last modified: | 2020-06-05 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 72 |
| Chiral Atom Count | 1 |
| Bond Count | 71 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (2S)-3-hydroxypropane-1,2-diyl didecanoate |
| Synonyms | 1,2-DIDECANOYL-SN-GLYCEROL |
| Systematic Name (OpenEye OEToolkits) | [(2S)-1-decanoyloxy-3-hydroxy-propan-2-yl] decanoate |
| Formula | C23 H44 O5 |
| Molecular Weight | 400.592 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC(COC(=O)CCCCCCCCC)CO)CCCCCCCCC |
| SMILES | CACTVS | 3.341 | CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC |
| Canonical SMILES | CACTVS | 3.341 | CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3/t21-/m0/s1 |
| InChIKey | InChI | 1.03 | GNSDEDOVXZDMKM-NRFANRHFSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 162916 |
| ChEBI | CHEBI:18155 |
