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1-Stearoyl-Sn-Glycero-3-Phosphocholine
CAS: 19420-57-6 | C26H54NO7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19420-57-6
Molecular Formula:
C26H54NO7P
Molecular Mass:
523.69 g/mol
Names and Synonyms:
1-Stearoyl-Sn-Glycero-3-Phosphocholine
3,5,9-Trioxa-4-phosphaheptacosan-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-monostearin, L-
3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-
Choline, phosphate, 3-ester with 1-monostearin, L-
Stearin, 1-mono-, 3-(dihydrogen phosphate), monoester with choline hydroxide, inner salt, L-
1-Stearoyl-sn-glycero-3-phosphorylcholine
1-Octadecanoyllysolecithin
Stearoyl L-α-lysolecithin
1-Stearoyl-sn-glycero-3-phosphocholine
1-Stearoyl-sn-glycerol-3-phosphorylcholine
1-Octadecanoyl-sn-glycerol-3-phosphorylcholine
1-O-Stearoyl-sn-glycero-3-phosphocholine
Coatsome MC 80H
1-O-Stearoyl-2-lyso-sn-glycero-3-phosphocholine
Lysophosphatidylcholine C18:0
Stearoyl lysophosphatidylcholine
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine
1-Stearoyl-sn-glycerol-3-phosphatidylcholine
(R)-2-Hydroxy-3-(stearoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChI:
InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
Key Properties
Melting Point
100-200 °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 | 523.69 g/mol | CAS Common Chemistry |
| 523.6920000000002 g/mol | RDKit | |
| 523.3637896979999 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IHNKQIMGVNPMTC-RUZDIDTESA-N | CAS Common Chemistry |
| Melting Point | 100-200 °C | CAS Common Chemistry |
| Name | 1-Stearoyl-sn-glycero-3-phosphocholine | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 25 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.12000000000002 Ų | RDKit |
| LogP | 5.359800000000004 | RDKit |
| Molar Refractivity | 138.92169999999996 | RDKit |
