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1-Monopalmitin
CAS: 19670-51-0 | C19H38O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19670-51-0
Molecular Formula:
C19H38O4
Molecular Mass:
330.51 g/mol
Names and Synonyms:
1-Monopalmitin
Hexadecanoic acid, 2,3-dihydroxypropyl ester
Palmitin, 1-mono-
α-Monopalmitin
1-Monopalmitin
Glyceryl palmitate
Glycerol 3-palmitate
Glycerol 1-palmitate
Glycerol 1-monopalmitate
Palmitic acid α-monoglyceride
Hexadecanoic acid α-monoglyceride
1-Monohexadecanoylglycerol
(±)-1-Monopalmitin
(±)-1-Hexadecanoylglycerol
DL-1-Monopalmitin
1-O-Palmitoyl-DL-glycerol
1-Monopalmitoyl-rac-glycerol
(±)-1-O-Hexadecanoylglycerol
1-Palmitoyl-rac-glycerol
Dimodan PA 90
1-Glycerol hexadecanoate
NSC 404240
1-O-Palmitoylglycerol
Glycerol 1-monohexadecanoate
2,3-Dihydroxypropyl palmitate
2,3-Dihydroxypropyl hexadecanoate
1-Glyceryl monohexadecanoate
1-Palmitoyl-rac-glycerol
1-Monohexadecanoyl-rac-glycerol
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=O)OCC(O)CO
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
Key Properties
Melting Point
71-72 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.51 g/mol | CAS Common Chemistry |
| 330.509 g/mol | RDKit | |
| 330.27700969599994 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(O)CO)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=QHZLMUACJMDIAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 71-72 °C | CAS Common Chemistry |
| Name | 1-Monopalmitin | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 4.364100000000005 | RDKit |
| Molar Refractivity | 94.36360000000006 | RDKit |
