AC1MJ544
[(2R)-3-[(2R)-3-[(2S)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-octanoyloxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] decanoate
Also Known As: Decanoic acid, mixed hexaesters with decaglycerol and octanoic acid|[(2R)-3-[(2R)-3-[(2S)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-octanoyloxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] decanoate
| Molecular Formula | C48H94O23 |
|---|---|
| Molecular Weight | 1038.6185 g/mol |
| LogP | -0.6676 |
| Topological Polar Surface Area | 337.97 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 54 |
| Exact Mass | 1038.6185 |
| Monoisotopic Mass | 1038.6185 |
| Heavy Atoms | 71 |
| Complexity | 1177.5841 |
Chemical Identifiers
| CAS Number | 72479-98-2 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC[C@@H](COC[C@@H](COC[C@@H](COC[C@@H](COC[C@@H](COC[C@@H](COC[C@@H](COC[C@@H](COC[C@@H](COC[C@@H](CO)O)O)O)O)O)O)OC(=O)CCCCCCC)O)O)O |
Product Overview
AC1MJ544 (CAS 72479-98-2), with molecular formula C48H94O23 and molecular weight 1038.6185 g/mol. IUPAC: [(2R)-3-[(2R)-3-[(2S)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-3-[(2R)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-octanoyloxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] decanoate.
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