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Phosphorylcholine

CAT: 1299-RG-A260713-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260713-01Size:10 mg
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CAS Number
3616-04-4
Synonyms
Phosphorylcholine
Molecular Formula
C5H14NO4P
Molecular Weight
183.14
Product Name Synonym
Phosphorylcholine

Chemical Information

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

Phosphocholine is the phosphate of choline; and the parent compound of the phosphocholine family. It has a role as an allergen, an epitope, a hapten, a mouse metabolite and a human metabolite. It is a conjugate acid of a choline phosphate(1-).

CAS Number3616-04-4
PubChem CID1014
IUPAC Nametrimethyl(2-phosphonooxyethyl)azanium
Molecular FormulaC5H15NO4P+
Molecular Weight184.15
XLogP-1.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge1
Complexity158
SMILES
C[N+](C)(C)CCOP(=O)(O)O
InChI
InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKey
YHHSONZFOIEMCP-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of N,N,N-trimethyl-2-(phosphonooxy)ethanaminium
CAS: 3616-04-4
CID: 1014
Formula: C5H15NO4P+
MW: 184.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.15
XLogP3-1.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass184.07386996
Monoisotopic Mass184.07386996
Topological Polar Surface Area66.8 Ų
Heavy Atom Count11
Formal Charge1
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-B2233B-01Phosphorylcholine
C8680-500Phosphorylcholine chloride
C3792-10Oleyloxyethyl Phosphorylcholine
MBS5784194Sphingosine phosphorylcholine
GTR18311946-01Phosphorylcholine Antibody
M36557-01Phosphorylcholine B
FC172054-01Cholesteryl-phosphorylcholine

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