2-Monostearin
Basic information
- CAS
621-61-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO- InChIKey
YQEMORVAKMFKLG-UHFFFAOYSA-N- Molecular formula
- C21H42O4
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 358.30830982
Overview
2-stearoylglycerol is a 2-monoglyceride where the acyl group is octadecanoyl (stearoyl). It is functionally related to an octadecanoic acid.
Names & identifiers
- Preferred name
- 2-Monostearin
- IUPAC
- 1,3-dihydroxypropan-2-yl octadecanoate
- English name
- 2-MONOSTEARIN
- Molecular formula
- C21H42O4
- Molecular weight
- 358.56
Names & synonyms
2-Stearoylglycerol621-61-42-Monostearin1,3-dihydroxypropan-2-yl octadecanoateQCK4W723ZXCHEBI:75456RefChem:893902-Monostearoylglycerol1,3-dihydroxypropan-2-yl stearate2-Stearoyl-rac-glycerolStearin, 2-mono-Glyceryl 2-stearate
Show more names
OCTADECANOINGlycerol 2-stearate2-O-StearoylglycerolGlycerol beta-sterate2-Octadecanoylglycerol
.beta.-MonostearinOctadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester.beta.-Glyceryl monostearateStearic acid .beta.-monoglyceride2-MonooctadecanoylglycerolUNII-QCK4W723ZXbeta-MonostearinDTXSID70873440
Database identifiers
- CAS
621-61-4- PubChem CID
- 79075
- DTXSID
DTXSID70873440- ChEBI
CHEBI:75456- UNII
- QCK4W723ZX
- Nikkaji
- J25.098H
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 74 · 74-75 °C
- Boiling point
- 485.7 · 485.7±25.0 °C(Predicted)
- Density
- 0.958 · 0.958±0.06 g/cm3(Predicted)
- storage temp.
- -70 °C · -70°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.54 · 13.54±0.10(Predicted)
- color
- White to Off-White
- biological source
- synthetic
- BRN
- 1799576 · 1799576
- Major Application
- food and beverages
- InChI
- 1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
- InChIKey
- YQEMORVAKMFKLG-UHFFFAOYSA-N
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
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Applications
Description2-Stearoyl-rac-glycerol is a monoacylglycerol containing stearic acid at the sn-2 position. 2-Stearoyl-rac-glycerol levels are increased in mouse plasma following exposure to low-dose ionizing radiation, as well as in rat kidney in a model of ischemia-reperfusion injury.
UsesA biomarker of metabolic responses to hepatotoxicants and carcinogens.
Uses2-Stearoyl-rac-glycerol is a biomarker of metabolic responses to hepatotoxicants and carcinogens.
Additional notes
DefinitionChEBI: A 2-monoglyceride where the acyl group is octadecanoyl (stearoyl).
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Compound notes
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