Basic information
- CAS
136152-91-5- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
SZYSLWCAWVWFLT-UTGHZIEOSA-N- Molecular formula
- C30H56O12
- Average molar mass
- 608.8 g/mol
- Monoisotopic mass
- 608.37717723
Names & identifiers
- Preferred name
- Sucrose, 1-stearate
- IUPAC
- [(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octadecanoate
Names & synonyms
Sucrose, 1-stearate58RP7JU52K136152-91-5alpha-D-Glucopyranoside, 1-O-(1-oxooctadecyl)-beta-d-fructofuranosylDTXSID60159700RefChem:186422DTXCID6082191UNII-58RP7JU52KSucrose stearate - 70% monostearateMFCD00152822((2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-2-yl)methyl stearate1-stearatesucrose
Show more names
[(2S,3S,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)-2-{[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXOLAN-2-YL]METHYL OCTADECANOATESZYSLWCAWVWFLT-USCHEMBL162541-O-Octadecanoyl-beta-D-fructofuranosyl alpha-D-glucopyranosideOS09352OS15187[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octadecanoateSucrose stearate - 25-33% monostearate
Database identifiers
- CAS
136152-91-5- PubChem CID
- 9898327
- DTXSID
DTXSID60159700- UNII
- 58RP7JU52K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 23
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 726
Related reactions
1 records
Compound notes
Loading…