chempirical

Tripalmitin

C51H98O6CAS 555-44-2807.34 g/mol

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Ester

Properties

Molecular formula
C51H98O6
Molar mass
807.34 g/mol
Exact mass
806.7363 Da
Density
0.866 g/mL (at 80 °C)
Melting point
66.5 °C
Boiling point
315 °C
logP
16.43Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
47

Identifiers

CAS number
555-44-2
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIKey
PVNIQBQSYATKKL-UHFFFAOYSA-N
InChI
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3

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Names and synonyms

18 names · show all
  • Hexadecanoic acid, 1,1′,1′′-(1,2,3-propanetriyl) ester
  • Palmitin, tri-
  • Hexadecanoic acid, 1,2,3-propanetriyl ester
  • Glycerol tripalmitate
  • Glyceryl tripalmitate
  • Palmitic triglyceride
  • Triglyceryl palmitate
  • Tripalmitoylglycerol
  • Spezialfett 116
  • Barolub LCD
  • Dynasan 116
  • Tripalmitate
  • Glycerin tripalmitate
  • Triglyceride PPP
  • Glyceryl trihexadecanoate
  • Dynosan 114
  • Palmitic acid triglyceride
  • 2,3-Di(hexadecanoyloxy)propyl hexadecanoate

Work with Tripalmitin

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 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 Linolein537-40-678 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia