chempirical

Trimyristin

C45H86O6CAS 555-45-3723.18 g/mol

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Ester

Properties

Molecular formula
C45H86O6
Molar mass
723.18 g/mol
Exact mass
722.6424 Da
Melting point
56.5 °C
Boiling point
311 °C
logP
14.09Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
41

Hazards

Not classified as hazardous under GHS by 5 ECHA notifiers. Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
555-45-3
SMILES
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChIKey
DUXYWXYOBMKGIN-UHFFFAOYSA-N
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

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Names and synonyms

17 names · show all
  • Tetradecanoic acid, 1,1′,1′′-(1,2,3-propanetriyl) ester
  • Myristin, tri-
  • Tetradecanoic acid, 1,2,3-propanetriyl ester
  • Glycerol trimyristate
  • Glyceryl trimyristate
  • VP 114
  • Myristic acid triglyceride
  • Dynasan 114
  • Myristic triglyceride
  • Trimyristoylglycerol
  • Glycerin trimyristate
  • Triglyceride MMM
  • Glyceryl tritetradecanoate
  • Tritetradecanoin
  • NSC 4062
  • Esteride G-M
  • 2,3-Di(tetradecanoyloxy)propyl tetradecanoate

Reactions

Work with Trimyristin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Axona538-23-8100 % similar Trilaurin538-24-9100 % similar Tripalmitin555-44-2100 % similar Tricaprin621-71-6100 % similar Triolein122-32-785 % similar (±)-1,2-Dipalmitoylglycerol40290-32-279 % similar 1,2-Dioctanoyl-sn-glycerol60514-48-979 % similar Trihydroxystearin139-44-678 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook