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1-Undecanoyl-rac-glycerol , CAS No.64633-19-8
Basic Description
Synonyms
MAG 11:0 | PD124720 | Undecanoic acid, 2,3-dihydroxypropyl ester | MONOUNDECANOIN | 2,3-dihydroxypropyl Undecanoate | SCHEMBL378472 | DTXSID50439326 | 1-undecanoyl-rac-glycerol | AKOS040755733 | MG 11:0
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Description
1-Undecanoyl-rac-glycerol (2,3-Dihydroxypropyl undecanoate) is the 2,3-dihydroxypropyl ester of undecanoic acid.Undecanoic acid is a medium chain free fatty acid (FFA).
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Glycerolipids
Subclass
Monoradylglycerols
Intermediate Tree Nodes
Monoacylglycerols
Direct Parent
1-monoacylglycerols
Alternative Parents
Fatty acid esters Secondary alcohols Carboxylic acid esters 1,2-diols Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
1-acyl-sn-glycerol - Fatty acid ester - Fatty acyl - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Organooxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2,3-dihydroxypropyl undecanoate
INCHI
InChI=1S/C14H28O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h13,15-16H,2-12H2,1H3
InChIKey
INEPAWKRVXYLTC-UHFFFAOYSA-N
Smiles
CCCCCCCCCCC(=O)OCC(CO)O
Isomeric SMILES
CCCCCCCCCCC(=O)OCC(CO)O
PubChem CID
10400395
Molecular Weight
260.37
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
260.370 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
13
Exact Mass
260.199 Da
Monoisotopic Mass
260.199 Da
Topological Polar Surface Area
66.800 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
194.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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