analytical standard, ≥95% Analytical standard 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.
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)O.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.OS(=O)(=O)O.OS(=O)(=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;hydrogen sulfate;4-methylbenzenesulfonic acid;sulfuric acid |
| InChIKey | XDCFCHNAIMYBAZ-XQVUROGGSA-N |
| INCHI | 1S/C15H22N6O5S.C7H8O3S.2H2O4S/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;1-6-2-4-7(5-3-6)11(8,9)10;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2-5H,1H3,(H,8,9,10);2*(H2,1,2,3,4)/t7-,8+,10+,11+,14+,27?;;;/m0.../s1 |
| Molecular Weight | 766.800 |
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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 p-Methylbenzenesulfonates Glycosylamines Tosyl compounds L-alpha-amino acids 6-aminopurines Pentoses 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Hydroxy fatty acids Aminopyrimidines and derivatives Thia fatty acids Organic sulfuric acids N-substituted imidazoles Imidolactams Organosulfonic acids Heteroaromatic compounds Oxolanes Sulfonyls 1,2-diols Amino acids Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic salts Organic zwitterions Monoalkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | 5'-deoxy-5'-thionucleoside - Methionine or derivatives - P-methylbenzenesulfonate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonate - Pentose monosaccharide - L-alpha-amino acid - Tosyl compound - Imidazopyrimidine - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Purine - Benzenesulfonyl group - Toluene - Thia fatty acid - Sulfuric acid - Hydroxy fatty acid - Aminopyrimidine - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - N-substituted imidazole - Imidolactam - Pyrimidine - Benzenoid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Oxolane - Organic sulfonic acid or derivatives - Organic sulfuric acid or derivatives - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Secondary alcohol - Amino acid - 1,2-diol - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic salt - Amine - Carbonyl group - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Primary amine - Organic oxide - Organosulfur compound - Organic nitrogen compound - Primary aliphatic amine - 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 | Not available |
| Molecular Weight | 766.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 8 |
| Exact Mass | 766.091 Da |
| Monoisotopic Mass | 766.091 Da |
| Topological Polar Surface Area | 415.000 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 897.000 |
| 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 | 4 |
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