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2-Myristyldistearin

CAT: 0013-GTR19232399-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232399-01Size:50 mg
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Description
2-Myristyldistearin (SMS) is a structured triglyceride composed of myristic and stearic acids. It is used in biochemical research as a model lipid for studying fat metabolism, lipid digestion, and as a component in formulating lipid-based delivery systems for in vitro studies.
CAS Number
57396-99-3
Field of Research
Metabolism Research
Smiles
C (COC (CCCCCCCCCCCCCCCCC) =O) (COC (CCCCCCCCCCCCCCCCC) =O) OC (CCCCCCCCCCCCC) =O
Molecular Formula
C53H102O6
Molecular Weight
835.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TG(18:0/14:0/18:0)[iso3]

TG(18:0/14:0/18:0)[iso3] is a triglyceride.

CAS Number57396-99-3
PubChem CID545588
IUPAC Name(3-octadecanoyloxy-2-tetradecanoyloxypropyl) octadecanoate
Molecular FormulaC53H102O6
Molecular Weight835.4
XLogP23
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count52
Heavy Atom Count59
Formal Charge0
Complexity824
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
InChIKey
MARPCPMDFOPPJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TG(18:0/14:0/18:0)[iso3]
CAS: 57396-99-3
CID: 545588
Formula: C53H102O6
MW: 835.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight835.4
XLogP323
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count52
Exact Mass834.76764097
Monoisotopic Mass834.76764097
Topological Polar Surface Area78.9 Ų
Heavy Atom Count59
Formal Charge0
Complexity824
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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