Sucrose caproate
[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hexanoate
Also Known As: Sucrose monocaproate|Sucrose caproate|Sucrose monocaprate|[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hexanoate|2,5-Anhydro-6-O-hexanoyl-5-(hydroxymethyl)undec-6-ulopyranose|alpha-D-Glucopyranoside, beta-D-fructofuranosyl, monohexanoate|2,5-anhydro-6-O-hexanoyl-5-(hydroxymethyl)-alpha-D-gluco-D-manno-undec-6-ulopyranose
| Molecular Formula | C18H32O12 |
|---|---|
| Molecular Weight | 440.18936 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 440.18936 |
| Monoisotopic Mass | 440.18936 |
| Heavy Atoms | 30 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 61358-54-1 |
|---|---|
| SMILES | CCCCCC(=O)O[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO |
| InChIKey | ZFFCNTZCHDDATQ-UWFDMBNGSA-N |
Product Overview
Sucrose caproate (CAS 61358-54-1), with molecular formula C18H32O12 and molecular weight 440.18936 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hexanoate.
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