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Molecule
1-Myristoyl-Sn-Glycero-3-Phosphocholine
CAS: 20559-16-4 · C22H46NO7P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20559-16-4
- Molecular Formula
- C22H46NO7P
- Molecular Mass
- 467.58 g/mol
Identifiers
CAS Registry Number
20559-16-4
SMILES
CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChI Key
VXUOFDJKYGDUJI-OAQYLSRUSA-N
InChI
InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1
Names and Synonyms
- 1-Myristoyl-Sn-Glycero-3-Phosphocholine Synonym
- 3,5,9-Trioxa-4-phosphatricosan-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-monomyristin, L- Synonym
- 3,5,9-Trioxa-4-phosphatricosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)- Synonym
- Myristin, 1-mono-, 3-(dihydrogen phosphate), monoester with choline hydroxide, inner salt, L- Synonym
- Myristoyl L-α-lysolecithin Synonym
- L-α-Myristoyllysophosphatidylcholine Synonym
- 1-Tetradecanoyl-sn-glycero-3-phosphorylcholine Synonym
- 1-Myristoyl-L-α-phosphorylcholine Synonym
- 1-Myristoyl-sn-glycero-3-phosphatidylcholine Synonym
- Myristoyl L-α-lysophosphatidylcholine Synonym
- 1-Myristoyl-sn-glycero-3-phosphocholine Synonym
- Coatsome MC 40H Synonym
- M-LysoPC Synonym
- 1-Myristoyl-2-hydroxy-sn-glycero-3-phosphocholine Synonym
- 1-Tetradecanoyl-sn-glycero-3-phosphocholine Synonym
- Lysophosphatidylcholine (14:0) Synonym
- LysoPC(14:0) Synonym
- Lysophosphatidylcholine C14:0 Synonym
- LPC 14:0 Synonym
- [(2R)-2-Hydroxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 467.58 g/mol | CAS Common Chemistry |
| 467.58400000000023 g/mol | RDKit | |
| 467.584 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VXUOFDJKYGDUJI-OAQYLSRUSA-N | CAS Common Chemistry |
| Name | 1-Myristoyl-sn-glycero-3-phosphocholine | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.12000000000002 Ų | RDKit |
| 105.12 Ų | RDKit | |
| LogP | 3.799400000000002 | RDKit |
| 3.7994 | RDKit | |
| Molar Refractivity | 120.4537000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9545 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 467.30118944199995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 467.58 g/mol. Edit any field — others recompute live.
