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5655-17-4
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Basic Information
CAS No.: 5655-17-4
Name: 1-Stearoyllysophosphatidylcholine
Molecular Structure:
Molecular Structure of 5655-17-4 (1-Stearoyllysophosphatidylcholine)
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) :

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) .