Sucrose heptalaurate
[(2R,3R,4S,5S)-3,4-di(dodecanoyloxy)-5-(dodecanoyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tri(dodecanoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl dodecanoate
Also Known As: Sucrose heptalaurate|sucroseheptalaurate|EINECS 266-496-8|[(2R,3R,4S,5S)-3,4-di(dodecanoyloxy)-5-(dodecanoyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tri(dodecanoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl dodecanoate|266-496-8
| Molecular Formula | C96H176O18 |
|---|---|
| Molecular Weight | 1617.2856 g/mol |
| LogP | 25.907 |
| Topological Polar Surface Area | 232.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 82 |
| Exact Mass | 1617.2856 |
| Monoisotopic Mass | 1618.2891 |
| Heavy Atoms | 114 |
| Complexity | 2299.333 |
Chemical Identifiers
| CAS Number | 66844-30-2 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(COC(=O)CCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
Product Overview
Sucrose heptalaurate (CAS 66844-30-2), with molecular formula C96H176O18 and molecular weight 1617.2856 g/mol. IUPAC: [(2R,3R,4S,5S)-3,4-di(dodecanoyloxy)-5-(dodecanoyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tri(dodecanoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl dodecanoate.
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