Monoacylglycerol
Athanor · official
C19H38O4 · 330.5 g/mol
IUPAC name: [(2S)-2,3-dihydroxypropyl] hexadecanoate
Also called MAG, monoglyceride, monopalmitin, 1-monoacylglycerol
Names and identifiers
- IUPAC name
- [(2S)-2,3-dihydroxypropyl] hexadecanoate
- Synonyms
- MAG, monoglyceride, monopalmitin
+ 40 more
1-monoacylglycerol, 1-Palmitoyl-sn-glycerol, Glyceryl monopalmitate, monopalmitin-1-glyceride, Glycerol palmitate, pure, EINECS 247-887-2, AI3-03500, DTXSID701313712, hexadecanoic acid, 2,3-bishydroxy propyl ester, RefChem:435345, DTXCID401743524, 1-hexadecanoyl-sn-glycerol, L-alpha-Palmitin, Glycerol palmitate, [(2S)-2,3-dihydroxypropyl] hexadecanoate, (2S)-2,3-dihydroxypropyl hexadecanoate, CHEBI:75542, (S)-2,3-Dihydroxypropyl palmitate, MG(16:0/0:0/0:0), 1-palmitoyl-glycerol, MG 16:0, 1-Monohexadecanoylglycerol, (S)-1-monopalmitin, glycerol 1-monohexadecanoate, Hexadecanoic acid, monoester with 1,2,3-propanetriol, C19H38O4, UNII-6Y2XJ05B35, 1-O-hexadecanolenin, sn-1-palmitoylmonoglycerol, sn-1-palmitoylmonoglyceride, Epitope ID:1068707, (2S)-1-O-palmitoylglycerol, SCHEMBL976646, orb2944125, (2S)-1-O-hexadecanoylglycerol, QHZLMUACJMDIAE-SFHVURJKSA-N, LMGL01010009, MFCD29056543, TCL-00033, HY-W109102
- Molecular formula
- C19H38O4
- Empirical formula
- C19H38O4
- Molecular weight
- 330.5 g/mol
- Exact mass
- 330.27701
- CAS number
- 542-44-9
- PubChem CID
- 3084463
- Canonical SMILES
- CCCCCCCCCCCCCCCC(=O)OCC(CO)O
- Isomeric SMILES
- CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O
- InChI
- InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1
- InChIKey
- QHZLMUACJMDIAE-SFHVURJKSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
- Appearance
- Large Crystals[1]
Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.
Calculated
- Heavy atoms
- 23
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.95
- H-bond donors
- 2
- H-bond acceptors
- 4
- Rotatable bonds
- 17 computed here · PubChem 18
- TPSA (Ų)
- 66.8
- Formal charge
- 0
- XLogP3
- 6.3 PubChem
- Complexity
- 256 PubChem
- Stereocenters
- 1 definedCIP: C20: S
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C69.05%
- H11.59%
- O19.36%
Isotope pattern
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
- 4.36 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -3.52 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 2.5 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 330.51
- log P ≤ 5 (Crippen): 4.36
- H-bond donors ≤ 5: 2
- H-bond acceptors ≤ 10: 4
Passes all 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
This chemical does not meet GHS hazard criteria for 100% (110 of 110) of all reports.[2]
Safety data sheets on the supplier’s page: eNovation Chemicals, AbaChemScene, Accela ChemBio Inc..
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
- [2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.