1,2-Dioctadecanoyl-sn-glycerol
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Basic information
- CAS
10567-21-2- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC- InChIKey
UHUSDOQQWJGJQS-QNGWXLTQSA-N- Molecular formula
- C39H76O5
- Average molar mass
- 625 g/mol
- Monoisotopic mass
- 624.56927552
Overview
1,2-dioctadecanoyl-sn-glycerol is a 1,2-diacyl-sn-glycerol where both acyl groups are specified as octadecanoyl. It is a 1,2-diacyl-sn-glycerol and a diacylglycerol 36:0. It is functionally related to an octadecanoic acid.
Names & identifiers
- Preferred name
- 1,2-Dioctadecanoyl-sn-glycerol
- IUPAC
- [(2S)-3-hydroxy-2-octadecanoyloxypropyl] octadecanoate
- English name
- 1,2-DISTEAROYL-SN-GLYCEROL
- Molecular formula
- C39H76O5
- Molecular weight
- 625.02
Names & synonyms
1,2-dioctadecanoyl-sn-glycerolCHEBI:41847(2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl octadecanoateRefChem:9349811,2-distearoyl-sn-glycerol10567-21-2L-1,2-DistearinDIACYL GLYCEROL1,2-Distearin, S-(S)-3-Hydroxypropane-1,2-diyl distearate1,2-di-O-stearoyl-sn-glycerol[(2S)-3-hydroxy-2-octadecanoyloxypropyl] octadecanoate
Show more names
D-a,b-Distearin2-Distearoyl-sn-glycerol1,2-Distearin-sn-glycerol(S)-1,2-Distearoyl-sn-glycerol1,2-Distearoyl-sn-glycerol - [D94262]3-Hydroxypropane-1,2-diyl (S)-Distearate(S)-3-hydroxypropane-1,2-diyldiacidester1,2-Distearoyl-sn-glycerol, 10 mM in DMSO(2S)-3-hydroxy-2-octadecanoyloxypropyl] octadecanoate
MFCD00067473SN-1,2-DISTEARIN(S)-glyceryl 1,2-distearateDTXSID20147249(2S)-3-hydroxypropane-1,2-diyl dioctadecanoate1,2-DISTEARIN, (S)-(-)-(S)-Glycerin-1,2-distearatDG(18:0/18:0/0:0)
Properties
Computed structural propertiesFilling in
- XLogP
- 16.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 38
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 593
Experimental & physicochemical properties
LipidsLipids -> Glycerolipids [GL] -> Diradylglycerols [GL02] -> Diacylglycerols [GL0201]
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 56.7 · 56.7-57.8 °C
- Boiling point
- 662.3 · 662.3±22.0 °C(Predicted)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 30 mg/ml; Ethanol: 0.25 mg/ml; PBS (pH 7.2): 0.7 mg/ml
- form
- A crystalline solid
- pka
- 13.69 · 13.69±0.10(Predicted)
- color
- Off-white to light yellow
- FDA UNII
- 9379 Q535O · T9379Q535O
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
- hs_code
- 2915705000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysDe Novo Triacylglycerol Biosynthesis TG(18:0/18:0/14:1(9Z))
Applications
Uses1,2-Distearoyl-sn-glycerol is used in the study of the influence of platelet-derived growth factor (PDGF) on diacylglycerol phosphorylation in Swiss 3T3 cells.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 1,2-dioctadecanoyl-sn-glycerol is a 1,2-diacyl-sn-glycerol where both acyl groups are specified as octadecanoyl. It is a 1,2-diacyl-sn-glycerol and a diacylglycerol 36:0. It is functionally related to an octadecanoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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