Back to Search
Molecule
1-Palmitoyl-Sn-Glycero-3-Phosphocholine
CAS: 17364-16-8 · C24H50NO7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 17364-16-8
- Molecular Formula
- C24H50NO7P
- Molecular Mass
- 495.64 g/mol
Identifiers
CAS Registry Number
17364-16-8
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChI Key
ASWBNKHCZGQVJV-HSZRJFAPSA-N
InChI
InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m1/s1
Names and Synonyms
- 1-Palmitoyl-Sn-Glycero-3-Phosphocholine Synonym
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)- Synonym
- Choline, hydroxide, dihydrogen phosphate, inner salt, 3-ester with 1-monopalmitin, L- Synonym
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)- Synonym
- Choline, phosphate, 3-ester with 1-monopalmitin, L- Synonym
- Palmitin, 1-mono-, 3-(dihydrogen phosphate), monoester with choline hydroxide, inner salt, L- Synonym
- 1-Palmitoyllecithin Synonym
- 1-Palmitoyl-sn-glycero-3-phosphorylcholine Synonym
- 1-Palmitoyl-sn-glycero-3-phosphorylcholine Synonym
- 1-Palmitoyl-sn-glycero-3-phosphorylcholine Synonym
- 1-Palmitoyl-sn-glycerol-3-phosphocholine Synonym
- 1-Palmitoyl-sn-glycero-3-phosphocholine Synonym
- L-α-Palmitoyllysophosphatidylcholine Synonym
- L-Palmitoyllysolecithin Synonym
- 1-Hexadecanoyllysolecithin Synonym
- Palmitoyl L-α-lysolecithin Synonym
- 1-Palmitoyl-sn-glycerol-3-phosphorylcholine Synonym
- 1-Hexadecanoyl-sn-glycerol-3-phosphorylcholine Synonym
- γ-Palmitoyl-L-α-lysophosphatidylcholine Synonym
- L-α-Lysopalmitoylphosphatidylcholine Synonym
- 1-O-Palmitoyl-sn-glyceryl-3-phosphorylcholine Synonym
- 1-Palmitoyllysophosphatidylcholine Synonym
- 1-Palmitoyl-L-α-lysophosphatidylcholine Synonym
- 1-Palmitoyl-2-lyso-sn-glycero-3-phosphocholine Synonym
- Palmitoyl L-α-lysophosphatidylcholine Synonym
- Palmitoyl L-lysophosphatidylcholine Synonym
- 1-Palmitoyl-sn-glycero-3-phosphocholine Synonym
- 1-O-Palmitoyl-sn-glycero-3-phosphocholine Synonym
- C(16)-Lysophosphatidylcholine Synonym
- 1-Palmitoyl-2-lysophosphatidylcholine Synonym
- 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphocholine Synonym
- MPPC Synonym
- 1-O-Palmitoyl-2-lyso-sn-glycero-3-phosphocholine Synonym
- Lysophosphatidylcholine C16:0 Synonym
- 1-Hexadecanoyl-sn-glycero-3-phosphocholine Synonym
- 1-Palmitoyl-sn-glycerol-3-phosphatidylcholine Synonym
- 1-Hexadecyl-sn-glycero-3-phosphocholine Synonym
- [(2R)-3-Hexadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 495.64 g/mol | CAS Common Chemistry |
| 495.63800000000026 g/mol | RDKit | |
| 495.638 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ASWBNKHCZGQVJV-HSZRJFAPSA-N | CAS Common Chemistry |
| Name | 1-Palmitoyl-sn-glycero-3-phosphocholine | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 23 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.12000000000002 Ų | RDKit |
| 105.12 Ų | RDKit | |
| LogP | 4.579600000000004 | RDKit |
| 4.5796 | RDKit | |
| Molar Refractivity | 129.6877000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9583 | RDKit |
| 0.96 | chempirical lib | |
| Exact Mass | 495.3324895699999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 495.64 g/mol. Edit any field — others recompute live.
