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2,3-Dihydroxypropyl decanoate

CAT: 0804-HY-W099617-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W099617-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2,3-Dihydroxypropyl decanoate (1-Decanoyl-rac-glycerol) is a natural product that can be isolated from the root of Angelica dahurica[1].
CAS Number
2277-23-8
Product Name Alternative
1-Decanoyl-rac-glycerol
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-3-dihydroxypropyl-decanoate.html
Purity
99.92
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CCCCCCCCCC(=O)OCC(CO)O
Molecular Formula
C13H26O4
Molecular Weight
246.34
Precautions
H302, H315, H319, H335
References & Citations
[1]Liu D, et al. Fatty acids as natural specific inhibitors of the proto-oncogenic protein Shp2. Bioorg Med Chem Lett. 2011 Nov 15;21 (22) :6833-7.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-Decanoylglycerol

1-monodecanoylglycerol is a 1-monoglyceride that has decanoyl (capryl) as the acyl group. It is a 1-monoglyceride and a monodecanoylglycerol.

CAS Number2277-23-8
PubChem CID92926
IUPAC Name2,3-dihydroxypropyl decanoate
Molecular FormulaC13H26O4
Molecular Weight246.34
XLogP3.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count17
Formal Charge0
Complexity182
SMILES
CCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3
InChIKey
LKUNXBRZDFMZOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Decanoylglycerol
CAS: 2277-23-8
CID: 92926
Formula: C13H26O4
MW: 246.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.34
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass246.18310931
Monoisotopic Mass246.18310931
Topological Polar Surface Area66.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity182
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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