Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, 10mM in DMSO 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCCCCCCCCC=CC(C(CO)N)O |
|---|---|
| IUPAC Name | (E,2S,3R)-2-aminooctadec-4-ene-1,3-diol |
| InChIKey | WWUZIQQURGPMPG-KRWOKUGFSA-N |
| INCHI | 1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 |
| Isomeric SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O |
| WGK Germany | 3 |
| Molecular Weight | 299.492 |
| Beilstein | 1727294 |
| Reaxy-Rn | 8132315 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8132315&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 |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Alkanolamines |
| Direct Parent | 1,2-aminoalcohols |
| Alternative Parents | Secondary alcohols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. |
| External Descriptors | Sphing-4-enines (Sphingosines) |
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| Sensitivity | Air Sensitive,Heat Sensitive |
|---|---|
| Specific Rotation[α] | -2° (C=1,CHCl3) |
| Melt Point(°C) | 74 °C |
| Molecular Weight | 299.500 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 15 |
| Exact Mass | 299.282 Da |
| Monoisotopic Mass | 299.282 Da |
| Topological Polar Surface Area | 66.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xiaomei Wu, Bin Pang, Jianwei You, Leiye Yu, Ruobing Ren, Hongyang Wang, Li Chen. (2023) An LC-MS-based workflow measures the export activity of S1P transporters. BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, [PMID:37245292] [10.1016/j.bbrc.2023.05.014] |
| 2. Peiqi Sun, Fei Hang, Jiayang Wang, Yuanye Jiang, Lingyun Pan, Cheng Hu. (2026) Simultaneous quantification of sphingolipid metabolites in human plasma using UPLC-MS/MS. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, [PMID:] [10.1016/j.jchromb.2026.125003] |
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