CAS 555-45-3|trimyristin|TRIMYRISTIN|Glyceryl trimyristate|Glycerol trimyristate|1,3-bis(tetradecanoyloxy)propan-2-yl tetradecanoate|1,2,3-Tritetradecanoyl-rac-glycerol|Glyceryl trimyristate|Trimyri...

General Information

Structure

Molecular Formula

C₄₅H₈₆O₆

Molecular Mass

723.16074

Exact Mass

722.64244047

Charge

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

Canonic Smiles

CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC

Isomeric Smiles

CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

Calculated Properties

JChem

LogD (pH = 7.4)

16.26

LogD (pH = 5.5)

16.26

Log P

16.26

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Acid pKa

-6.57

Polar Surface Area

78.90

Polarizability

97.17

Molar Refractivity

213.68

LOG S

-16.79

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

trimyristin

Synonyms

TRIMYRISTINGlyceryl trimyristateGlycerol trimyristate1,2,3-Tritetradecanoyl-rac-glycerolGlyceryl trimyristateTrimyristin1,2,3-TritetradecanoylglycerolTG 14:0/14:0/14:01,2,3-trimyristoylglycerolTG(42:0)MyristinTetradecanoic acid, 1,2,3-propanetriyl esterTAG(14:0/14:0/14:0)1,2,3-Propanetriol tritetradecanoateMyristic acid triglyceridetrimyristinTG(14:0/14:0/14:0)Tracylglycerol(42:0)Myristic triglyceride1,2,3-tritetradecanoylglycerolGlyceryl tritetradecanoatetrimyristoylglycerolTAG(42:0)Glycerol trimyristateTracylglycerol(14:0/14:0/14:0)Glyceryl trimyristatetritetradecanoylglycerol

IUPAC name

1,3-bis(tetradecanoyloxy)propan-2-yl tetradecanoate

Names and Identifiers

Registration numbers

EC Number

209-099-7

CAS Number

555-45-3

PubChem SID

24900261162088773223442887

Beilstein Number

1718242