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Dipalmitoylphosphatidylethanolamine
CAS: 923-61-5 | C37H74NO8P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
923-61-5
Molecular Formula:
C37H74NO8P
Molecular Mass:
691.97 g/mol
Names and Synonyms:
Dipalmitoylphosphatidylethanolamine
Hexadecanoic acid, 1,1′-[(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl] ester
Palmitin, 1,2-di-, 2-aminoethyl hydrogen phosphate, L-
Hexadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)-
Hexadecanoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester
Dipalmitoyl-L-α-cephalin
1,2-Dipalmitoyl-L-3-phosphatidylethanolamine
1,2-Dipalmitoylglycerophosphorylethanolamine
Dipalmitoyl-L-α-phosphatidylethanolamine
1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine
L-β,γ-Dipalmitoyl-α-phosphatidylethanolamine
1,2-Dipalmitoyl-sn-glycerol-3-phosphoethanolamine
L-α-Dipalmitoylphosphatidylethanolamine
1,2-Dipalmitoyl-3-sn-phosphatidylethanolamine
1,2-Dihexadecanoyl-sn-glycerol-3-phosphorylethanolamine
sn-1,2-dipalmitoylglycerophosphoethanolamine
1,2-Dipalmitoyl-sn-glycerol-3-L-α-phosphorylethanolamine
1,2-Dipalmitoyl-L-α-phosphatidylethanolamine
1,2-Dipalmitoyl-sn-glycerophosphoethanolamine
1,2-Dipalmitoyl-sn-glycerol-3-phosphorylethanolamine
1,2-Dipalmitoyl-sn-glycero-3-phosphatidylethanolamine
1,2-Dipalmitoyl-sn-glycero-3-phosphatidylethanolamine
(R)-Dipalmitoylphosphatidylethanolamine
DPPE
Coatsome ME 6060
DHPE
1,2-Dipalmitoyl-sn-glycerol-3-phosphatidylethanolamine
2-Azaniumylethyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChI:
InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
Key Properties
Melting Point
190-191 °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 | 691.97 g/mol | CAS Common Chemistry |
| 691.9719999999995 g/mol | RDKit | |
| 691.5152049579999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dipalmitoylphosphatidylethanolamine | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SLKDGVPOSSLUAI-PGUFJCEWSA-N | CAS Common Chemistry |
| Melting Point | 190-191 °C | CAS Common Chemistry |
| Name | 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine | CAS Common Chemistry |
| Dipalmitoylphosphatidylethanolamine | CAS Common Chemistry | |
| Heavy Atom Count | 47 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 37 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 134.38 Ų | RDKit |
| LogP | 10.496299999999996 | RDKit |
| Molar Refractivity | 192.24669999999938 | RDKit |
