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| CAS No.: | 5655-17-4 |
|---|---|
| Name: | 1-Stearoyllysophosphatidylcholine |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C26H54 N O7 P |
| Molecular Weight: | 523.691 |
| Synonyms: | 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (?à)-; Choline, hydroxide,dihydrogen phosphate, inner salt, 3-ester with 1-monostearin, DL- (8CI);1-Octadecanoyl-3-glycerophosphorylcholine;1-Stearoyl-2-lysophosphatidylcholine; 1-Stearoyl-3-glycerylphosphorylcholine;1-Stearoylglycero-3-phosphorylcholine; 1-Stearoyllysophosphatidylcholine;Stearoyl lysolecithin; Stearoyl lysophosphatidylcholine |
| Density: | g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and POx. |
| PSA: | 114.93000 |
| LogP: | 6.43000 |
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Chemistry
Molecule structure of Stearoyl lysolecithin (CAS NO.5655-17-4) :
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IUPAC Name: (2-hydroxy-3-octadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight: 523.683221 g/mol
Molecular Formula: C26H54NO7P
XLogP3-AA: 6.6
H-Bond Donor: 1
H-Bond Acceptor: 7
Rotatable Bond Count: 26
Exact Mass: 523.36379
MonoIsotopic Mass: 523.36379
Topological Polar Surface Area: 105
Heavy Atom Count: 35
Complexity: 546
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
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
InChIKey of Stearoyl lysolecithin (CAS NO.5655-17-4) : IHNKQIMGVNPMTC-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | dni-hmn-leu 5 mg/L | CNREA8 Cancer Research. 43 (1983),5538. |
Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and POx.
Specification
Stearoyl lysolecithin (CAS NO.5655-17-4) is also calle Stearoyl alpha-lysolecithin ; 1-Stearoyllysophosphatidylcholine ; 2-Lysophosphatidylcholine ; Choline, hydroxide, dihydrogen phosphate, inner salt, 3-ester with 1-monostearin ; Stearoyl lysophosphatidylcholine ; 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, hydroxide,inner salt, 4-oxide ; Choline, phosphate, 3-ester with 1-monostearin (7CI) .