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Molecule
1-Palmitoyl-2-Oleoyl-Sn-Glycero-3-Phosphocholine
CAS: 26853-31-6 · C42H82NO8P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 26853-31-6
- Molecular Formula
- C42H82NO8P
- Molecular Mass
- 760.09 g/mol
Identifiers
CAS Registry Number
26853-31-6
SMILES
CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI Key
WTJKGGKOPKCXLL-VYOBOKEXSA-N
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
Names and Synonyms
- 1-Palmitoyl-2-Oleoyl-Sn-Glycero-3-Phosphocholine Systematic Name
- 1-Palmitoyl-2-oleoyl-3-sn-phosphatidylcholine Synonym
- 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)- Synonym
- Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1-palmito-2-olein, L- Synonym
- 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)]- Synonym
- 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphorylcholine Synonym
- 1-Palmitoyl-2-oleoyl-sn-glyceryl-3-phosphorylcholine Synonym
- L-α-1-Palmitoyl-2-oleoylphosphatidylcholine Synonym
- 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine Synonym
- 1-Palmitoyl-2-oleyl-3-sn-phosphatidylcholine Synonym
- 1-Palmitoyl-2-oleoyl-L-α-lecithin Synonym
- 1-Palmitoyl-2-oleoyl-L-α-phosphatidylcholine Synonym
- 1-Palmitoyl-2-oleoyl-3-sn-phosphatidylcholine Synonym
- β-Oleoyl-γ-palmitoyl-L-α-phosphatidylcholine Synonym
- 1-Palmitoyl-2-oleoylphosphatidylcholine Synonym
- 1-Palmitoyl-2-oleoyl-sn-3-phosphocholine Synonym
- POPC Synonym
- Palmitoyloleoylphosphatidylcholine Synonym
- 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)]- Synonym
- 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine Synonym
- 1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphatidylcholine Synonym
- 1-Palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine Synonym
- 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine Synonym
- 1-Palmitoyl-2-oleoyl-sn-glycero-phosphocholine Synonym
- 2-Oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine Synonym
- 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine Synonym
- 1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine Synonym
- 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine Synonym
- L-Palmitoyloleoylphosphatidylcholine Synonym
- L-1-Palmitoyl-2-oleoylphosphatidylcholine Synonym
- 1-Palmitoyl-2-oleoyl-phosphocholine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 760.09 g/mol | CAS Common Chemistry |
| 760.0910000000001 g/mol | RDKit | |
| 760.091 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 |
| 111.19 Ų | RDKit | |
| LogP | 11.167999999999992 | RDKit |
| 11.168 | RDKit | |
| Molar Refractivity | 213.012899999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9048 | RDKit |
| 0.9 | chempirical lib | |
| Exact Mass | 759.577805214 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 760.09 g/mol. Edit any field — others recompute live.
