5'-deoxy-5'-S-isobutylthioadenosine
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
Also Known As: SIBA|5'-S-Isobutylthioadenosine|5'-ISOBUTYLTHIO-5'-DEOXYADENOSINE|5'-Deoxy-5'-S-isobutyladenosine|5'-isobutylthioadenosine|5'-S-Isobutyl-5'-deoxyadenosine|5'-deoxy-5'-S-isobutylthioadenosine|5'-s-isobutyl-5'-thioadenosine|5'-Deoxy-5'-isobutylthioadenosine|PDSP1_001035|PDSP2_001019|s2971|Adenosine, 5'-S-(2-methylpropyl)-5'-thio-|Adenosine,5'-S-(2-methylpropyl)-5'-thio-|SID:53790777|5'-S-(2-Methylpropyl)-5'-thioadenosine|CAS_35899-54-8|5 -S-(2-Methylpropyl)-5 -thioadenosine|(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol|(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-((isobutylthio)methyl)tetrahydrofuran-3,4-diol
| Molecular Formula | C14H21N5O3S |
|---|---|
| Molecular Weight | 339.1365 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.1365 |
| Monoisotopic Mass | 339.1365 |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 37124-07-5 |
|---|---|
| SMILES | CC(C)CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | JDDUQGRUPLKDNT-IDTAVKCVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5'-deoxy-5'-S-isobutylthioadenosine (CAS 37124-07-5), with molecular formula C14H21N5O3S and molecular weight 339.1365 g/mol. IUPAC: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol.
5'-deoxy-5'-S-isobutylthioadenosine is a custom synthesis product. We offer services from milligram to kilogram scale.
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