Basic information
- CAS
94139-18-1- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC- InChIKey
YMKWELBQDFUMAS-WDTUOMDDSA-N- Molecular formula
- C120H226O17
- Average molar mass
- 1,941.1 g/mol
- Monoisotopic mass
- 1,939.68200574
Names & identifiers
- Preferred name
- alpha-D-Glucopyranoside, beta-D-fructofuranosyl, hexaoctadecanoate
- IUPAC
- [(2S,3S,4R,5R)-5-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tri(octadecanoyloxy)oxan-2-yl]oxy-3,4-di(octadecanoyloxy)oxolan-2-yl]methyl octadecanoate
Names & synonyms
alpha-D-Glucopyranoside, beta-D-fructofuranosyl, hexaoctadecanoateRefChem:555561SURFHOPe C-18025SET36TKD3SUCROSE, HEXASTEARATENS00066012
Database identifiers
- CAS
94139-18-1- PubChem CID
- 129727164
- UNII
- 5SET36TKD3
Properties
Computed structural properties
- XLogP
- 48.4
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 113
- Heavy atoms
- 137
- Formal charge
- 0
- Complexity
- 2,640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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