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[(2R)-3-hexadecoxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[(2R)-3-hexadecoxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate structure

CAS No:
135566-25-5
Formula:
C27H54NO7P
Chemical Name:
[(2R)-3-hexadecoxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Synonyms:
1-O-hexadecyl-2-acrylyl-sn-glycero-3-phosphocholine;acrylyl-PAF;135566-25-5;PC(O-16:0/3:1(2E));Acrylyl-paf;PC(O-16:0/3:1);1-hexadecyl-2-(2E-propionyl)-sn-glycero-3-phosphocholine;PC(o19:1);1-O-Hexadecyl-2-acrylyl-sn-glycero-3-phosphocholine;DTXSID30929053;CHEBI:177111;LMGP01020070;[(2R)-3-hexadecoxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate;3-(Hexadecyloxy)-2-[(prop-2-enoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate;3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]-, inner salt, 4-oxide, (R)-

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Description

PC(O-16:0/3:1(2E)) is a 1-alkyl-2-acyl-glycero-3-phosphocholine.

[(2R)-3-hexadecoxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Basic Attributes

Molecular Weight：

535.7 g/mol

Exact Mass：

535.36379006 g/mol

Characteristics

PSA：

94.1 Å²

Collision Cross Section：

235.6 Å² [M+H]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|235.2 Å² [M+H]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|236.8 Å² [M+H]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|244.9 Å² [M+HCOO]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|257 Å² [M+OAcO]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]

Drug Information

MeSH Entry Terms：

1-O-hexadecyl-2-acrylyl-sn-glycero-3-phosphocholine

[(2R)-3-hexadecoxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Use and Manufacturing

Use Classification：

Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> 1-alkyl,2-acylglycerophosphocholines [GP0102]

Computed Properties

Molecular Weight:535.7
XLogP3:7.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:27
Exact Mass:535.36379006
Monoisotopic Mass:535.36379006
Topological Polar Surface Area:94.1
Heavy Atom Count:36
Complexity:587
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2R)-3-hexadecoxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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