Phosphocholine
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Phosphocholine
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CAS No:
107-73-3
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Formula:
C5H15NO4P.Cl
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Chemical Name:
Phosphocholine
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Synonyms:
Ethanaminium,N,N,N-trimethyl-2-(phosphonooxy)-,chloride (1:1);Ethanaminium,N,N,N-trimethyl-2-(phosphonooxy)-,chloride;Choline,chloride,dihydrogen phosphate;Choline phosphate chloride;Choline phosphochloride;Phosphorylcholine chloride;Phosphorylcholine hydrochloride;Choline phosphate;Phosphorylcholine;Phosphocholine;Phosphocholine chloride;109114-04-7;123200-23-7
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CAS No:
Description
ChEBI: An organic chloride salt comprising a choline phosphate cation and chloride anion.
Phosphorylcholine chloride is an organic chloride salt comprising a choline phosphate cation and chloride anion. It contains a phosphocholine and a chloride.|Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.
Characteristics
76.57000
Solid
108-111 °C (decomp)
103 °C @ Press: 12 Torr
135.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|135 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]|136.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|147.9 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Phosphocholine Use and Manufacturing
This choline phosphomonoester (FWzwitterion = 183.14 g/mol; CAS 107-73- 3), also known as choline phosphate and phosphorylcholine, is a key intermediate in the biosynthesis of many phospholipids. Both the free acid and the calcium salt are very soluble in water. The free acid is relatively stable in acidic conditions: only 15% is hydrolyzed in five hours in 1 M HCl at 100°C. Under alkaline conditions, there is complete hydrolysis after four hours by refluxing with barium hydroxide. The phosphoc
Computed Properties
Molecular Weight:219.60
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:219.0427227
Monoisotopic Mass:219.0427227
Topological Polar Surface Area:66.8
Heavy Atom Count:12
Complexity:158
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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