1-Propanol, 2-methoxy-3-(octadecyloxy)-, (2S)-
Basic information
- CAS
83167-59-3- Standard SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](CO)OC- InChIKey
JWBOVDKFGDXGCR-QFIPXVFZSA-N- Molecular formula
- C22H46O3
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 358.34469533
Names & identifiers
- Preferred name
- 1-Propanol, 2-methoxy-3-(octadecyloxy)-, (2S)-
- IUPAC
- (2S)-2-methoxy-3-octadecoxypropan-1-ol
- English name
- 1-Propanol, 2-methoxy-3-(octadecyloxy)-, (2S)-
- Molecular formula
- C22H46O3
- Molecular weight
- 358.6
Names & synonyms
1-Propanol, 2-methoxy-3-(octadecyloxy)-, (2S)-RefChem:43623783167-59-3(2S)-2-methoxy-3-octadecoxypropan-1-ol1-o-octadecyl-2-o-methyl-sn-glycerol(S)-2-methoxy-3-(octadecyloxy)propan-1-ol(2S)-2-methoxy-3-octadecoxy-propan-1-olAC1LA1HXC22H46O3(2S)-2-methoxy-3-(octadecyloxy)-1-propanolSCHEMBL133766(2S)-2-METHOXY-3-(OCTADECYLOXY)PROPAN-1-OL
Show more names
2(S)-methoxy-3-(octadecyloxy)-1-propanol
orb1694556DTXSID70332709AKOS040754656HY-W345072(S)-2-O-methyl-1-O-octadecylglycerineFO172256PD018789rac-1-O-N-Octadecyl-2-O-Methyl-glycerol
Database identifiers
- CAS
83167-59-3- PubChem CID
- 459930
- DTXSID
DTXSID70332709- Nikkaji
- J1.707.303F
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 16 mg/ml; · DMF: 16 mg/ml; DMSO: 0.16 mg/ml; Ethanol: 5 mg/ml
- form
- A crystalline solid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information1-Propanol, 2-methoxy-3-(octadecyloxy)-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Applications
Description1-O-Octadecyl-2-O-methyl-sn-glycerol is a metabolite of a phosphotidylinositol ether lipid analog (PIA). PIAs are known to target the pleckstrin homology domain of the serine/threonine kinase Akt and to induce apoptosis in cancer cell lines with high levels of endogenous Akt activity.1,2
Uses(S)-2-methoxy-3-(octadecyloxy)propan-1-ol ((2S)-2-methoxy-3-octadecoxypropan-1-ol) is an ester product.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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