Sucrose octaisobutyrate structure

Sucrose octaisobutyrate

[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(2-methylpropanoyloxy)-2,5-bis(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]methyl 2-methylpropanoate

Also Known As: Sucrose octaisobutyrate|Sucrose octa-isobutyrate|[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(2-methylpropanoyloxy)-2,5-bis(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]methyl 2-methylpropanoate|1,3,4,6-Tetrakis-O-(2-methylpropanoyl)-beta-D-fructofuranosyl 2,3,4,6-tetrakis-O-(2-methylpropanoyl)-alpha-D-glucopyranoside|alpha-D-Glucopyranoside, 1,3,4,6-tetrakis-O-(2-methyl-1-oxopropyl)-beta-D-fructofuranosyl, tetrakis(2-methylpropanoate)

CAS: 102787-19-9
Molecular Formula C44H70O19
Molecular Weight 902.4511 g/mol
LogP 7.4
Topological Polar Surface Area 238.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 19
Rotatable Bonds 29
Exact Mass 902.4511
Monoisotopic Mass 902.4511
Heavy Atoms 63
Complexity 1600.0

Chemical Identifiers

CAS Number 102787-19-9
SMILES CC(C)C(=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(C)C)OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
InChIKey QSOGLNCCKWUXRN-CIGKAFDASA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Food Additives (5 patents) Heterocyclic Building Blocks (4 patents) Pharmaceutical Intermediates (3 patents)

Product Overview

Sucrose octaisobutyrate (CAS 102787-19-9), with molecular formula C44H70O19 and molecular weight 902.4511 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(2-methylpropanoyloxy)-2,5-bis(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]methyl 2-methylpropanoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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