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)
| 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.
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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