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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
Names and Synonyms:
1-Palmitoyl-Sn-Glycero-3-Phosphocholine
3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
Choline, hydroxide, dihydrogen phosphate, inner salt, 3-ester with 1-monopalmitin, L-
3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-
Choline, phosphate, 3-ester with 1-monopalmitin, L-
Palmitin, 1-mono-, 3-(dihydrogen phosphate), monoester with choline hydroxide, inner salt, L-
1-Palmitoyllecithin
1-Palmitoyl-sn-glycero-3-phosphorylcholine
1-Palmitoyl-sn-glycero-3-phosphorylcholine
1-Palmitoyl-sn-glycero-3-phosphorylcholine
1-Palmitoyl-sn-glycerol-3-phosphocholine
1-Palmitoyl-sn-glycero-3-phosphocholine
L-α-Palmitoyllysophosphatidylcholine
L-Palmitoyllysolecithin
1-Hexadecanoyllysolecithin
Palmitoyl L-α-lysolecithin
1-Palmitoyl-sn-glycerol-3-phosphorylcholine
1-Hexadecanoyl-sn-glycerol-3-phosphorylcholine
γ-Palmitoyl-L-α-lysophosphatidylcholine
L-α-Lysopalmitoylphosphatidylcholine
1-O-Palmitoyl-sn-glyceryl-3-phosphorylcholine
1-Palmitoyllysophosphatidylcholine
1-Palmitoyl-L-α-lysophosphatidylcholine
1-Palmitoyl-2-lyso-sn-glycero-3-phosphocholine
Palmitoyl L-α-lysophosphatidylcholine
Palmitoyl L-lysophosphatidylcholine
1-Palmitoyl-sn-glycero-3-phosphocholine
1-O-Palmitoyl-sn-glycero-3-phosphocholine
C(16)-Lysophosphatidylcholine
1-Palmitoyl-2-lysophosphatidylcholine
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphocholine
MPPC
1-O-Palmitoyl-2-lyso-sn-glycero-3-phosphocholine
Lysophosphatidylcholine C16:0
1-Hexadecanoyl-sn-glycero-3-phosphocholine
1-Palmitoyl-sn-glycerol-3-phosphatidylcholine
1-Hexadecyl-sn-glycero-3-phosphocholine
[(2R)-3-Hexadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
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
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 | 495.64 g/mol | CAS Common Chemistry |
| 495.63800000000026 g/mol | RDKit | |
| 495.3324895699999 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 |
| LogP | 4.579600000000004 | RDKit |
| Molar Refractivity | 129.6877000000001 | RDKit |
