Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, 10mM in Water Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 6.7 |
|---|
| Pubchem Sid | 528774483 |
|---|---|
| Sourires canoniques | CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C |
| IUPAC Name | hexadecyl 2-(trimethylazaniumyl)ethyl phosphate |
| InChIKey | PQLXHQMOHUQAKB-UHFFFAOYSA-N |
| INCHI | 1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3 |
| Isomères SMILES | CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C |
| WGK Allemagne | 3 |
| RTECS | KH2890000 |
| Poids moléculaire | 407.57 |
| Reaxy-Rn | 3690495 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3690495&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Classe | Organonitrogen compounds |
| Subclass | Quaternary ammonium salts |
| Intermediate Tree Nodes | Cholines |
| Direct Parent | Phosphocholines |
| Alternative Parents | Dialkyl phosphates Tetraalkylammonium salts Organopnictogen compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Phosphocholine - Dialkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Tetraalkylammonium salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Amine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative. |
| External Descriptors | phosphocholines - phospholipid |
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| Sensibilité | Heat Sensitive |
|---|---|
| Point de fusion (°C) | 216 °C(dec.) |
| Poids moléculaire | 407.600 g/mol |
| XLogP3 | 6.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 20 |
| Exact Mass | 407.316 Da |
| Monoisotopic Mass | 407.316 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 363.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →