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Chemistry

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Also known as: 2-[[(2r)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium, [(2r)-2,3-dihydroxypropoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid, Ch5, Glycero-3-phosphocholine, Choline-alfoscerate, Schembl157824
Molecular Formula
C8H21NO6P+
Molecular Weight
258.23  g/mol
InChI Key
SUHOQUVVVLNYQR-MRVPVSSYSA-O

Glycerylphosphorylcholine
1 2D Structure

Glycerylphosphorylcholine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2.1.2 InChI
InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
2.1.3 InChI Key
SUHOQUVVVLNYQR-MRVPVSSYSA-O
2.1.4 Canonical SMILES
C[N+](C)(C)CCOP(=O)(O)OCC(CO)O
2.1.5 Isomeric SMILES
C[N+](C)(C)CCOP(=O)(O)OC[C@@H](CO)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2-[[(2r)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2. [(2r)-2,3-dihydroxypropoxy][2-(trimethylazaniumyl)ethoxy]phosphinic Acid

3. Ch5

4. Glycero-3-phosphocholine

5. Choline-alfoscerate

6. Schembl157824

7. O-(l-glycero-3-phospho)choline

8. Zinc1532714

9. S4972

10. C00670

11. A929212

12. Q27458810

13. 2-{[(s)-{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-n,n,n-trimethylethanaminium

2.3 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 258.23 g/mol
Molecular Formula C8H21NO6P+
XLogP3-2.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass258.11064939 g/mol
Monoisotopic Mass258.11064939 g/mol
Topological Polar Surface Area96.2 Ų
Heavy Atom Count16
Formal Charge1
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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24-Mar-2021
18-Jul-2024
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