1-O-octadecyl-2-O-methylglycerol
Basic information
- CAS
100156-48-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC- InChIKey
RLLSVQBBSYOHNY-UHFFFAOYSA-N- Molecular formula
- C22H44O4
- Average molar mass
- 372.6 g/mol
- Monoisotopic mass
- 372.32395988
Overview
a metabolite of 1-O-octadecyl-2-O-methylglycerophosphocholine
Names & identifiers
- Preferred name
- 1-O-octadecyl-2-O-methylglycerol
- IUPAC
- (3-hydroxy-2-methoxypropyl) octadecanoate
- English name
- 1-O-octadecyl-2-O-methylglycerol
- Molecular weight
- 0
Names & synonyms
1-O-Octadecyl-2-O-methylglycerol100156-48-7RefChem:7672218679-04-4Octadecanoic acid, 3-hydroxy-2-methoxypropyl ester3-hydroxy-2-methoxypropyl stearateSCHEMBL7037981DTXSID709052303-hydroxy-2-methoxypropyl octadecanoate
Database identifiers
- CAS
100156-48-7- PubChem CID
- 127487
- DTXSID
DTXSID70905230
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…