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2-Methacryloyloxyethyl Phosphorylcholine
CAS: 67881-98-5 | C11H22NO6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67881-98-5
Molecular Formula:
C11H22NO6P
Molecular Mass:
295.27 g/mol
Names and Synonyms:
2-Methacryloyloxyethyl Phosphorylcholine
3,5,8-Trioxa-4-phosphaundec-10-en-1-aminium, 4-hydroxy-N,N,N,10-tetramethyl-9-oxo-, inner salt, 4-oxide
2-Methacryloyloxyethyl phosphorylcholine
2-(Methacryloyloxy)ethyl 2-(trimethylammonio)ethyl phosphate
MPC
2-Methacryloyloxyethyl phosphatidylcholine
PC 2118
M 2005
2-(2-Methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate
Identifiers:
SMILES:
C=C(C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C
InChI:
InChI=1S/C11H22NO6P/c1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5/h1,6-9H2,2-5H3
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 | 295.27 g/mol | CAS Common Chemistry |
| 295.272 g/mol | RDKit | |
| 295.118474054 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCOP(=O)([O-])OCC[N+](C)(C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H22NO6P/c1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5/h1,6-9H2,2-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZSZRUEAFVQITHH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methacryloyloxyethyl phosphorylcholine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 84.89 Ų | RDKit |
| LogP | 0.31350000000000056 | RDKit |
| Molar Refractivity | 68.18290000000003 | RDKit |
