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Trimyristin Reference Standard, 99% (GC)

CAT: 0565-83676-01Size: 1 gDry Ice: NoHazardous: No
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Description
Part B
CAS Number
555-45-3
Storage Temperature
2 - 8°C

Chemical Information

Trimyristin

Trimyristin is a triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by myristic (tetradecanoic) acid. It is a triglyceride and a tetradecanoate ester.

CAS Number555-45-3
PubChem CID11148
IUPAC Name2,3-di(tetradecanoyloxy)propyl tetradecanoate
Molecular FormulaC45H86O6
Molecular Weight723.2
XLogP18.7
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count44
Heavy Atom Count51
Formal Charge0
Complexity711
SMILES
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
InChIKey
DUXYWXYOBMKGIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimyristin
CAS: 555-45-3
CID: 11148
Formula: C45H86O6
MW: 723.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight723.2
XLogP318.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count44
Exact Mass722.64244046
Monoisotopic Mass722.64244046
Topological Polar Surface Area78.9 Ų
Heavy Atom Count51
Formal Charge0
Complexity711
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