Sucrose heptalaurate structure

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

CAS: 66844-30-2
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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