≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC |
|---|---|
| IUPAC Name | [(2R)-2-butanoyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| InChIKey | UVHUBDICYDPLIO-HHHXNRCGSA-N |
| INCHI | 1S/C28H58NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-33-25-27(36-28(30)21-7-2)26-35-37(31,32)34-24-22-29(3,4)5/h27H,6-26H2,1-5H3/t27-/m1/s1 |
| Isomeric SMILES | CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC |
| PubChem CID | 24779310 |
| Molecular Weight | 551.736 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | 1-alkyl,2-acylglycero-3-phosphocholines |
| Alternative Parents | Phosphocholines Glycerol ethers Fatty acid esters Dialkyl phosphates Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1-alkyl,2-acylglycero-3-phosphocholine - Phosphocholine - Fatty acid ester - Dialkyl phosphate - Glycerol ether - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-alkyl,2-acylglycero-3-phosphocholines. These are glycerophosphocholines that carry exactly one acyl chain attached to the glycerol moiety through an ester linkage at the O2-position, and one alkyl chain attached through an ether linkage at the O1-position. |
| External Descriptors | 1-alkyl,2-acylglycerophosphocholines |
| Molecular Weight | 551.700 g/mol |
|---|---|
| XLogP3 | 7.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 28 |
| Exact Mass | 551.395 Da |
| Monoisotopic Mass | 551.395 Da |
| Topological Polar Surface Area | 94.100 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 575.000 |
| 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 |
