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N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium

N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium structure

CAS No:
3616-04-4
Formula:
C5H15NO4P
Chemical Name:
N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium
Synonyms:
Ethanaminium,N,N,N-trimethyl-2-(phosphonooxy)-;Choline,dihydrogen phosphate (ester);N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium

Description

Solid

Phosphocholine is the phosphate of choline; and the parent compound of the phosphocholine family. It has a role as an epitope, a hapten, a human metabolite, a mouse metabolite and an allergen. It is a conjugate acid of a choline phosphate(1-).|Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.

N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium Basic Attributes

Molecular Weight：

184.15 g/mol

Exact Mass：

184.07386996 g/mol

Characteristics

PSA：

66.8 Å²

Collision Cross Section：

138.54 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|137.7 Å² [M+H]+

Drug Information

Drug Indication：

Drug: Chop

MeSH Entry Terms：

Chloride, Choline Phosphate

Computed Properties

Molecular Weight:184.15
XLogP3:-1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:184.07386996
Monoisotopic Mass:184.07386996
Topological Polar Surface Area:66.8
Heavy Atom Count:11
Formal Charge:1
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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