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Molecule
(±)-1,2-Dipalmitoylglycerol
CAS: 40290-32-2 · C35H68O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 40290-32-2
- Molecular Formula
- C35H68O5
- Molecular Mass
- 568.92 g/mol
Identifiers
CAS Registry Number
40290-32-2
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC
InChI Key
JEJLGIQLPYYGEE-UHFFFAOYSA-N
InChI
InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3
Names and Synonyms
- (±)-1,2-Dipalmitoylglycerol Synonym
- Hexadecanoic acid, 1,1′-[1-(hydroxymethyl)-1,2-ethanediyl] ester Synonym
- Hexadecanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester, (±)- Synonym
- Hexadecanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester Synonym
- rac-Glycerol 1,2-dipalmitate Synonym
- (±)-1,2-Dipalmitoylglycerol Synonym
- 1,2-Dipalmitoyl-DL-glycerol Synonym
- (RS)-1,2-Dipalmitin Synonym
- (±)-1,2-Dipalmitoylglycerin Synonym
- rac-1,2-Dipalmitoylglycerol Synonym
- 1,2-Dipalmitoyl-rac-glycerol Synonym
- (±)-1,2-Dipalmitin Synonym
- 1,2-Dipalmitin Synonym
- Glycerol 1,2-dipalmitate Synonym
- 1,2-Dipalmitoylglycerol Synonym
- 2,3-Dipalmitin Synonym
- (±)-1-(Hydroxymethyl)ethane-1,2-diyl dipalmitate Synonym
- Glycerol 1,2-dihexadecanoate Synonym
- 1-(Hexadecanoyloxy)-3-hydroxypropan-2-yl hexadecanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 568.92 g/mol | CAS Common Chemistry |
| 568.9240000000003 g/mol | RDKit | |
| 568.924 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JEJLGIQLPYYGEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64 °C | CAS Common Chemistry |
| Name | (±)-1,2-Dipalmitoylglycerol | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 32 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.83000000000001 Ų | RDKit |
| 72.83 Ų | RDKit | |
| LogP | 10.396299999999997 | RDKit |
| 10.3963 | RDKit | |
| Molar Refractivity | 168.54879999999963 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9429 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 568.5066752759999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 568.92 g/mol. Edit any field — others recompute live.
