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Chemical structure of Sucrose octaacetate

GC38851

Sucrose octaacetate

Also known as [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate

Sucrose octaacetate is an acetylated derivative of sucrose with an intensely bitter tasting and can be used as bitter tasting surrogate

ChemicalCAS126-14-7MW678.59FormulaC28H38O19
CAS number
126-14-7
Molecular weight
678.59
Formula
C28H38O19
Solubility
DMSO： ≥ 250 mg/mL (368·41 mM)
InChIKey
ZIJKGAXBCRWEOL-SAXBRCJISA-N
Catalogue number
GC38851
Brand
GLPBIO
Computed properties PubChem CID 31340 · XLogP -0.9 · TPSA 238 Ų · H-bond donors 0
XLogP
-0.9
TPSA
238 Ų
H-bond donors
0
H-bond acceptors
19
Rotatable bonds
21
Heavy atoms
47

SMILES CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Computed descriptors from PubChem (CID 31340), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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