≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
Description
16-Phosphonohexadecanoic acid (16-PA) is an alkyl phosphonic acid that forms a self-assembled monolayer (SAM). It yields a close packed pattern with densely arranged alkyl groups. These SAMs are robust and stable in aqueous solutions over a wide pH range.16-PA can be used as an anti-corrosive coating by forming a SAM on metal oxide surfaces for potential use in biomedical applications. It can also be deposited on indium oxide (ITO) substrates for the immobilization of surface atoms.
| Canonical Smiles | C(CCCCCCCC(=O)O)CCCCCCCP(=O)(O)O |
|---|---|
| IUPAC Name | 16-phosphonohexadecanoic acid |
| InChIKey | JVXYHUCXFLBBGA-UHFFFAOYSA-N |
| INCHI | 1S/C16H33O5P/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-22(19,20)21/h1-15H2,(H,17,18)(H2,19,20,21) |
| Isomeric SMILES | C(CCCCCCCC(=O)O)CCCCCCCP(=O)(O)O |
| PubChem CID | 53422654 |
| Molecular Weight | 336.4 |
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 | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Long-chain fatty acids |
| Alternative Parents | Organic phosphonic acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Long-chain fatty acid - Organophosphonic acid derivative - Organophosphonic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. |
| External Descriptors | Not available |
| Flash Point(°F) | Not applicable |
|---|---|
| Flash Point(°C) | Not applicable |
| Melt Point(°C) | 129-133℃ |
| Molecular Weight | 336.400 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 16 |
| Exact Mass | 336.207 Da |
| Monoisotopic Mass | 336.207 Da |
| Topological Polar Surface Area | 94.800 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 314.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
