Products 5863-40-1
CAS 5863-40-1 is the registry number for Dethia-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate (CAS 5863-40-1) is a chemical compound with the molecular formula C21H36N7O16P3 and a molecular weight of 735.5 g/mol. IUPAC name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate. InChIKey: ILWZMFJBPIYQKW-IBOSZNHHSA-N.
| Molecular formula | C21H36N7O16P3 |
|---|---|
| Molecular weight | 735.5 g/mol |
| IUPAC name | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate |
| InChIKey | ILWZMFJBPIYQKW-IBOSZNHHSA-N |
| SMILES | CCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
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