Basic information
- CAS
102787-19-9- Standard SMILES
CC(C)C(=O)OC[C@H]1O[C@@](COC(=O)C(C)C)(O[C@H]2O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]2OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C- InChIKey
QSOGLNCCKWUXRN-CIGKAFDASA-N- Molecular formula
- C44H70O19
- Average molar mass
- 903 g/mol
- Monoisotopic mass
- 902.45113
Names & identifiers
- Preferred name
- Sucrose octaisobutyrate
- 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
- English name
- sucrose octaisobutyrate
- Molecular formula
- C44H70O19
- Molecular weight
- 903.02
Names & synonyms
Sucrose octaisobutyrate102787-19-9Sucrose octa-isobutyrateO7704K0GMSDTXSID00145506RefChem:186406DTXCID8067997UNII-O7704K0GMSSCHEMBL4268023Q272854341,3,4,6-Tetrakis-O-(2-methylpropanoyl)-beta-D-fructofuranosyl 2,3,4,6-tetrakis-O-(2-methylpropanoyl)-alpha-D-glucopyranosidealpha-D-Glucopyranoside, 1,3,4,6-tetrakis-O-(2-methyl-1-oxopropyl)-beta-D-fructofuranosyl, tetrakis(2-methylpropanoate)
Show more names
α-D-Glucopyranoside, 1,3,4,6-tetrakis-O-(2-methyl-1-oxopropyl)-β-D-fructofuranosyl, 2,3,4,6-tetrakis(2-methylpropanoate)
Database identifiers
- CAS
102787-19-9- PubChem CID
- 128201
- DTXSID
DTXSID00145506- UNII
- O7704K0GMS
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 238 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 29
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,600
Physicochemical properties
- FDA UNII
- 7704 K0GMS · O7704K0GMS
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…