3,5,9-Trioxa-4-phosphanonacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
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3,5,9-Trioxa-4-phosphanonacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
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CAS No:
108341-80-6
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Formula:
C28H58NO7P
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Chemical Name:
3,5,9-Trioxa-4-phosphanonacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
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Synonyms:
3,5,9-Trioxa-4-phosphanonacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-,inner salt,4-oxide,(7R)-;3,5,9-Trioxa-4-phosphanonacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-,inner salt,4-oxide,(R)-;Lysophosphatidylcholine C20:0;LPC 20:0
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CAS No:
Description
Solid
Solid
1-icosanoyl-sn-glycero-3-phosphocholine is a 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as icosanoyl. It is a 1-O-acyl-sn-glycero-3-phosphocholine and a lysophosphatidylcholine 20:0. It derives from an icosanoic acid.
3,5,9-Trioxa-4-phosphanonacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)- Basic Attributes
543.67
551.395
Characteristics
105
7.7
Solid
243.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|248.6 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|251.13 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]|257.7 Ų [M+HCOO]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|248.29 Ų [M+CH3COO]- [CCS Type: TIMS, Method: single field calibrated]|245.37 Ų [M+H]+ [CCS Type: TIMS, Method: single field calibrated]|247.64 Ų [M+Na]+ [CCS Type: TIMS, Method: single field calibrated]|247 Ų [M+H]+
3,5,9-Trioxa-4-phosphanonacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)- Use and Manufacturing
Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Monoacylglycerophosphocholines [GP0105]
Computed Properties
Molecular Weight:551.7
XLogP3:7.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:28
Exact Mass:551.39509019
Monoisotopic Mass:551.39509019
Topological Polar Surface Area:105
Heavy Atom Count:37
Complexity:575
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,5,9-Trioxa-4-phosphanonacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
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