3-Methoxynonadecane-1,2-diol
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Basic information
- CAS
96960-92-8- Standard SMILES
CCCCCCCCCCCCCCCCC(OC)C(O)CO- InChIKey
XBWFFZHHWCCOFX-UHFFFAOYSA-N- Molecular formula
- C20H42O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.3133952
Names & identifiers
- Preferred name
- 3-Methoxynonadecane-1,2-diol
- IUPAC
- 3-methoxynonadecane-1,2-diol
- English name
- 1-O-HEXADECYL-2-O-METHYL-SN-GLYCEROL
- Molecular formula
- C20H42O3
- Molecular weight
- 330.55
Names & synonyms
3-methoxynonadecane-1,2-diolSCHEMBL2545528DTXSID60700913AKOS0302559961-C16-2-C1 DGHEXADECYL METHYL GLYCEROL1-O-HEXADECYL-2-O-METHYL-SN-GLYCEROL1-O-hexadecyl-2-O-Methyl-sn-glycerol (PMG)1-Propanol, 3-(hexadecyloxy)-2-methoxy-, (2S)-1-O-hexadecyl-2-O-methyl-sn-glycerol (PMG)1-O-Hexadecyl-2-O-methyl-sn-glycerol≥ 98% (HPLC)1-O-HEXADECYL-2-O-METHYL-SN-GLYCEROL (PMG)
Show more names
1-C16-2-C1 DG1-O-HEXADECYL-2-O-METHYL-SN-GLYCEROL (PMG)1-C16-2-C1 DG
Database identifiers
- CAS
96960-92-8- PubChem CID
- 53436619
- DTXSID
DTXSID60700913
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 35 · 35-36 °C
- Boiling point
- 430.6 · 430.6±25.0 °C(Predicted)
- Density
- 0.895 · 0.895±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 8.3 mg/ml · ≤8.3mg/ml in DMSO;8.3mg/ml in dimethyl formamide
- form
- solution in ethanol.
- pka
- 14.2 · 14.20±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H350
- Precautionary statements
- 201 · P201-P202-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P308+P313-P370+P378-P403+P235-P405-P501
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- Hazard statements
- H225-H350
- Precautionary statements
- P201-P202-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P308+P313-P370+P378-P403+P235-P405-P501
Chemistry & industry
Applications
UsesHexadecyl methyl glycerol is a synthetic diacylglycerol with a hexadecyl chain at the sn-1 position and a methyl group at the sn-2 position. It inhibits protein kinase C activity in human neutrophils, resulting in prevention of the respiratory burst induced by both phorbol 12,13-dibutyrate and fMLP.
Uses1-O-Hexadecyl-2-O-methyl-sn-glycerol inhibits protein kinase C activity in human neutrophils.
Additional notes
DefinitionChEBI: 1-O-palmityl-2-O-methyl-sn-glycerol is an alkylglycerol having palmityl (hexadecyl) and methyl groups located at position2 1 and 2 respectively (the S-enantiomer).
Related reactions
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Compound notes
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