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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC(=O)O |
|---|---|
| IUPAC Name | 2-[[(2R)-2-(4-carboxybutanoyloxy)-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium |
| InChIKey | CDZVJFRXJAUXPP-AREMUKBSSA-O |
| INCHI | 1S/C29H56NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(33)37-24-26(40-29(34)21-18-19-27(31)32)25-39-41(35,36)38-23-22-30(2,3)4/h26H,5-25H2,1-4H3,(H-,31,32,35,36)/p+1/t26-/m1/s1 |
| Molecular Weight | 610.7 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Glycerophospholipids |
| Subclass | Glycerophosphocholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phosphatidylcholines |
| Alternative Parents | Phosphocholines Tricarboxylic acids and derivatives Fatty acid esters Dialkyl phosphates Tetraalkylammonium salts Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Diacylglycero-3-phosphocholine - Phosphocholine - Tricarboxylic acid or derivatives - Choline - Fatty acid ester - Dialkyl phosphate - Fatty acyl - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage. |
| External Descriptors | Not available |
| Molecular Weight | 610.700 g/mol |
|---|---|
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 30 |
| Exact Mass | 610.372 Da |
| Monoisotopic Mass | 610.372 Da |
| Topological Polar Surface Area | 146.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 1 |
| Complexity | 756.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[[(2R)-2-(4-carboxybutanoyloxy)-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium , CAS No.46907873](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)