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1-Palmitoyl-2-Oleoyl-Sn-Glycero-3-Phosphocholine
CAS: 26853-31-6 | C42H82NO8P
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
26853-31-6
Molecular Formula:
C42H82NO8P
Molecular Mass:
760.09 g/mol
Names and Synonyms:
1-Palmitoyl-2-Oleoyl-Sn-Glycero-3-Phosphocholine
1-Palmitoyl-2-oleoyl-3-sn-phosphatidylcholine
3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide, (7R,17Z)-
Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1-palmito-2-olein, L-
3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, hydroxide, inner salt, 4-oxide, [R-(Z)]-
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphorylcholine
1-Palmitoyl-2-oleoyl-sn-glyceryl-3-phosphorylcholine
L-α-1-Palmitoyl-2-oleoylphosphatidylcholine
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
1-Palmitoyl-2-oleyl-3-sn-phosphatidylcholine
1-Palmitoyl-2-oleoyl-L-α-lecithin
1-Palmitoyl-2-oleoyl-L-α-phosphatidylcholine
1-Palmitoyl-2-oleoyl-3-sn-phosphatidylcholine
β-Oleoyl-γ-palmitoyl-L-α-phosphatidylcholine
1-Palmitoyl-2-oleoylphosphatidylcholine
1-Palmitoyl-2-oleoyl-sn-3-phosphocholine
POPC
Palmitoyloleoylphosphatidylcholine
3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide, [R-(Z)]-
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine
1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphatidylcholine
1-Palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
1-Palmitoyl-2-oleoyl-sn-glycero-phosphocholine
2-Oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine
1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
L-Palmitoyloleoylphosphatidylcholine
L-1-Palmitoyl-2-oleoylphosphatidylcholine
1-Palmitoyl-2-oleoyl-phosphocholine
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI:
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
Key Properties
Melting Point
-3 °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 | 760.09 g/mol | CAS Common Chemistry |
| 760.0910000000001 g/mol | RDKit | |
| 759.577805214 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WTJKGGKOPKCXLL-VYOBOKEXSA-N | CAS Common Chemistry |
| Melting Point | -3 °C | CAS Common Chemistry |
| Name | 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine | CAS Common Chemistry |
| Heavy Atom Count | 52 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 39 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 111.19000000000001 Ų | RDKit |
| LogP | 11.167999999999992 | RDKit |
| Molar Refractivity | 213.012899999999 | RDKit |
