2,3-Dihydroxypropyl hexadecanoate

Compound Structure:

Synonyms:

Monopalmitin;1-Monopalmitin;1-Palmitoyl-rac-glycerol;GLYCERYL PALMITATE;2,3-dihydroxypropyl hexadecanoate;1-Palmitoylglycerol;Glycerol 1-monopalmitate;Glycerol 1-palmitate;Glycerol 3-palmitate

Compound ID:

NMPC-100

PubChem ID:

14900

Molecular Formula:

C19H38O4

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CO)O

InChIKey:

QHZLMUACJMDIAE-UHFFFAOYSA-N

About the compound:

1-monopalmitoylglycerol is a 1-monoglyceride, characterized by having palmitoyl as the acyl group. It is naturally found in Neolitsea daibuensis and serves roles as a plant metabolite and an algal metabolite. Functionally, it is related to hexadecanoic acid. Glyceryl palmitate is another natural compound, discovered in various organisms including Astragalus mongholicus and Euphorbia micractina.

GHS Hazard Statements

• H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	330.5 g/mol
XLogP3	6.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	18
Exact Mass	330.27700969 g/mol
Monoisotopic Mass	330.27700969 g/mol
Topological Polar Surface Area	66.8Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	The product varies from a pale yellow to pale brown oily liquid to a white or slightly off-white hard waxy solid. The solids may be in the form of flakes, powders or small beads

Source Species:

Acanthus montanus
Senna tora
Tragia benthamii

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