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1-Monopalmitin

CAT: 1596-AR-G02571-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G02571-02Size:25 Units
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CAS Number
542-44-9
Molecular Formula
C19H38O4
Molecular Weight
330.51
API Name
Glycerol

Chemical Information

1-Monopalmitin

1-monopalmitoylglycerol is a 1-monoglyceride that has palmitoyl as the acyl group. A natural product found in Neolitsea daibuensis. It has a role as a plant metabolite and an algal metabolite. It is functionally related to a hexadecanoic acid.

CAS Number542-44-9
PubChem CID14900
IUPAC Name2,3-dihydroxypropyl hexadecanoate
Molecular FormulaC19H38O4
Molecular Weight330.5
XLogP6.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Heavy Atom Count23
Formal Charge0
Complexity256
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3
InChIKey
QHZLMUACJMDIAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Monopalmitin
CAS: 542-44-9
CID: 14900
Formula: C19H38O4
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Exact Mass330.27700969
Monoisotopic Mass330.27700969
Topological Polar Surface Area66.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity256
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

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