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2-Hydroxy-3- (palmitoyloxy) propyl stearate

CAT: 0804-HY-W710399-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W710399-01Size:1 mg
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Description
1-Palmitoyl-3-stearoyl-rac-glycerol is a diacylglycerol that contains palmitic acid at the sn-1 position and stearic acid (HY-B2219) at the sn-3 position. It has been found in palm-based diacylglycerols produced from palm stearin, palm mid fraction, palm oil, and palm olein, as well as in wheat bran and brewer’s spent grain extracts.
CAS Number
17708-08-6
Product Name Alternative
DG (16:0/0:0/18:0) ; 1-Palmitin-3-Stearin
UNSPSC
12352211
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/2-hydroxy-3-palmitoyloxy-propyl-stearate.html
Smiles
O[C@H](COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
Molecular Formula
C37H72O5
Molecular Weight
596.96
References & Citations
[1]Xu, et al. A comparative study on microstructure, texture, rheology, and palm-based diacylglycerol oils and corresponding palm‐based oils. Eur. J. Lipid Sci. Technol. 118 (8), 1179-1192 (2016) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Glyceryl 1,3-palmitostearate

structure in first source

CAS Number17708-08-6
PubChem CID3578032
IUPAC Name(3-hexadecanoyloxy-2-hydroxypropyl) octadecanoate
Molecular FormulaC37H72O5
Molecular Weight597.0
XLogP15.1
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count36
Heavy Atom Count42
Formal Charge0
Complexity564
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3
InChIKey
BFTGWUUHOMAGPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glyceryl 1,3-palmitostearate
CAS: 17708-08-6
CID: 3578032
Formula: C37H72O5
MW: 597.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight597.0
XLogP315.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count36
Exact Mass596.53797539
Monoisotopic Mass596.53797539
Topological Polar Surface Area72.8 Ų
Heavy Atom Count42
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes