32mM±2mM for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | -3.5 |
|---|
| Canonical Smiles | C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O |
|---|---|
| IUPAC Name | [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium |
| InChIKey | MEFKEPWMEQBLKI-AIRLBKTGSA-O |
| INCHI | 1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1 |
| Isomeric SMILES | C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| PubChem CID | 34756 |
| Molecular Weight | 399.4 |
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 | Nucleosides, nucleotides, and analogues |
| Class | 5'-deoxyribonucleosides |
| Subclass | 5'-deoxy-5'-thionucleosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 5'-deoxy-5'-thionucleosides |
| Alternative Parents | Methionine and derivatives Glycosylamines Pentoses 6-aminopurines L-alpha-amino acids Thia fatty acids Aminopyrimidines and derivatives Hydroxy fatty acids N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Amino acids Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives Monoalkylamines Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5'-deoxy-5'-thionucleoside - Methionine or derivatives - N-glycosyl compound - Glycosyl compound - Pentose monosaccharide - 6-aminopurine - Alpha-amino acid - L-alpha-amino acid - Alpha-amino acid or derivatives - Imidazopyrimidine - Purine - Aminopyrimidine - Hydroxy fatty acid - Thia fatty acid - N-substituted imidazole - Fatty acyl - Monosaccharide - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Tetrahydrofuran - Amino acid or derivatives - 1,2-diol - Amino acid - Secondary alcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 5'-deoxy-5'-thionucleosides. These are 5'-deoxyribonucleosides in which the ribose is thio-substituted at the 5'position by a S-alkyl group. |
| External Descriptors | organic cation - sulfonium compound |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2505474 | Certificate of Analysis | Nov 29, 2025 | S693949 |
| I2528525 | Certificate of Analysis | Sep 17, 2025 | S693949 |
| E2513445 | Certificate of Analysis | Apr 16, 2025 | S693949 |
| C2517523 | Certificate of Analysis | Feb 27, 2025 | S693949 |
| Molecular Weight | 399.400 g/mol |
|---|---|
| XLogP3 | -3.500 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 399.145 Da |
| Monoisotopic Mass | 399.145 Da |
| Topological Polar Surface Area | 184.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 1 |
| Complexity | 533.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |
| 1. Yamin Liu, Xunjiang Wang, Jiaojiao Wei, Kangning Fu, Yilin Chen, Linnan Li, Zhengtao Wang, Li Yang. (2024) Comprehensive Profiling of Amino Acids and Derivatives in Biological Samples: A Robust UHPLC-MS/MS Method for Investigating Acute Lung Injury. JOURNAL OF CHROMATOGRAPHY A, [PMID:38537486] [10.1016/j.chroma.2024.464816] |
