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Tripalmitin

Athanor · official

C51H98O6 · 807.3 g/mol

IUPAC name: 2,3-di(hexadecanoyloxy)propyl hexadecanoate

Also called triacylglycerol, triglyceride, glyceryl tripalmitate, TAG, tripalmitoylglycerol

Lipids
Open in Athanor
The structure of Tripalmitin
Drawn from its SMILES with RDKit
Environmental hazardHazardsToxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name
2,3-di(hexadecanoyloxy)propyl hexadecanoate
Synonyms
triacylglycerol, triglyceride, glyceryl tripalmitate
+ 40 more

TAG, tripalmitoylglycerol, Glycerol tripalmitate, Tripalmitoylglycerol, Glyceryl tripalmitate, Palmitic triglyceride, Tripalmitate, Dynasan 116, Triglyceryl palmitate, Barolub, Spezialfett 116, Speziafett 116, Glyceryl trihexadecanoate, Barolub LCD, Hexadecanoic acid, 1,2,3-propanetriyl ester, Palmitic acid triglycerin ester, Dynosan 114, Hexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, Tripalmitoyl glycerol, 2,3-di(hexadecanoyloxy)propyl hexadecanoate, tripalmitina, tripalmitine, DTXSID8046169, 1,2,3-trihexadecanoyl-sn-glycerol, 1,2,3-Propanetriol trihexadecanoate, glycero-tripalmitate, D133ZRF50U, 1,2,3-propanetriyl trihexadecanoate, TG(16:0/16:0/16:0), DTXCID6026169, CHEBI:77393, tripalmitinum, tripalmitylglycerol, RefChem:6330, 209-098-1, Palmitic acid triglyceride, Propane-1,2,3-triyl tripalmitate, Tripalmitin [INN], Glycerin tripalmitate, Palmitin, tri-

Molecular formula
C51H98O6
Empirical formula
C51H98O6
Molecular weight
807.3 g/mol
Exact mass
806.73634
CAS number
555-44-2
PubChem CID
11147
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
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
InChIKey
PVNIQBQSYATKKL-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
57
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.94
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
47 computed here · PubChem 50
TPSA (Ų)
78.9
Formal charge
0
XLogP3
21.9 PubChem
Complexity
798 PubChem
Stereocenters
None
Double-bond geometry
None specified

Elemental analysis

  • C75.87%
  • H12.24%
  • O11.89%

Isotope pattern

100%806.73657%807.74017%808.7433.5%809.746810.749

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
16.43 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-12.09 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.55 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 807.34
  • log P ≤ 5 (Crippen): 16.43
  • H-bond donors ≤ 5: 0
  • H-bond acceptors ≤ 10: 6

Breaks 2 of the four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Most widely reported: 125 company reports to ECHA. Source [1].

  • Environmental hazard
  • H411Toxic to aquatic life with long lasting effects (14.4% of reports)

Precautionary statements: P273, P391, P501

View all classifications (2)
  • [1] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 85.6% (107 of 125) of all reports.
  • [1] European Chemicals Agency (ECHA) · 125 reportsH411

Safety data sheets on the supplier’s page: Chem-Impex, LGC Standards, Acmec Biochemical.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  5. [5]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  7. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  8. ·Literature on PubChem

Data last updated 2026-10-14.