1-Palmitoylphosphatidylcholine
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1-Palmitoylphosphatidylcholine
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CAS No:
17364-18-0
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Formula:
C24H50NO7P
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Chemical Name:
1-Palmitoylphosphatidylcholine
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Synonyms:
3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-,inner salt,4-oxide;Choline,hydroxide,dihydrogen phosphate,inner salt,3-ester with 1-monopalmitin,DL-;3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-,hydroxide,inner salt,4-oxide,(±)-;Palmitin,1-mono-,3-(dihydrogen phosphate),monoester with choline hydroxide,inner salt,DL-;Choline,hydroxide,dihydrogen phosphate,inner salt,3-ester with 1-monopalmitin;1-Palmitoylglycerol-3-phosphorylcholine;1-Palmitoyllysolecithin;Palmitoyllysolecithin;Palmitoyllysophosphatidyl choline;1-Palmitoylphosphatidylcholine;Choline,phosphate,3-ester with 1-monopalmitin;1-Palmitoyl-3-glycerylphosphorylcholine;1-Hexadecanoyl-3-glycerophosphorylcholine;LysoPC(16:0);650-33-9;14863-27-5
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CAS No:
Characteristics
114.93000
5.64980
-20ºC
229.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|235 Ų [M+HCOO]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|233.3 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|228.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with phosphatidylcholines (ESI+) and phosphatidylethanolamines (ESI-)]|218.7 Ų [M-CH3]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|222.9 Ų [M-CH3]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|229.9 Ų [M+H]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|237.6 Ų [M+HCOO]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|244.8 Ų [M+HCOO]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|242.4 Ų [M+HCOO]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|248.9 Ų [M+HCOO]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|235.36 Ų [M+CH3COO]- [CCS Type: TIMS, Method: single field calibrated]|230.74 Ų [M+H]+ [CCS Type: TIMS, Method: single field calibrated]|223.94 Ų [M+Na]+ [CCS Type: TIMS, Method: single field calibrated]
1-Palmitoylphosphatidylcholine Use and Manufacturing
Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Monoacylglycerophosphocholines [GP0105]|Cosmetics -> Emulsifying
Computed Properties
Molecular Weight:495.6
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:24
Exact Mass:495.33248993
Monoisotopic Mass:495.33248993
Topological Polar Surface Area:105
Heavy Atom Count:33
Complexity:517
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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