N6-Threonylcarbamoyladenosine
(2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid
Also Known As: N6-Threonylcarbamoyladenosine|Acaptma|t(6)a|starbld0012987|N6-Carbamoyl-L-threonyladenosine|N6-Threoninocarbonyladenosine|n6-(n-threonylcarbonyl)adenosine|N6-Carbamoylthreonyladenosine|N(6)-(N-Threonylcarbonyl)adenosine|24719-82-2 free acid|N6-Carbamoylthreonyl-D-adenosine|KST-1A3490|KST-1A3491|N6-Carbamoylthreonyladenosine sodium salt|6-Carbamoylthreonyl purine nucleoside|N6-CARBAMOYLTHREONYL ADENOSINE|MSK183577-100M|N-(Purin-6-ylcarbamoyl)-L-threonine riboside|T6a|N-((9-beta-D-Ribofuranosylpurin-6-yl)-carbamoyl)threonine|N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine|N6-[((1S,2R)-1-CARBOXY-2-HYDROXYBUTYLAMINO)CARBONYL]ADENOSINE SODIUM SALT|N(epsilon-Aminocaproyl)-p-aminophenyltrimethylammonium|N-[(9-|A-D-ribofuranosylpurin-6-yl)carbamoyl]threonine|N-(9-(beta-D-ribofuranosyl)purin-6-ylcarbamoyl)threonine
| Molecular Formula | C15H20N6O8 |
|---|---|
| Molecular Weight | 412.13425 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.13425 |
| Monoisotopic Mass | 412.13425 |
| Heavy Atoms | 29 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 28882-41-9 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)O)NC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | UNUYMBPXEFMLNW-DWVDDHQFSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N6-Threonylcarbamoyladenosine (CAS 28882-41-9), with molecular formula C15H20N6O8 and molecular weight 412.13425 g/mol. IUPAC: (2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid.
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