Products 76174-56-6
CAS 76174-56-6 is the registry number for Adenomycin. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,5-dihydroxy-6-sulfooxycyclohexyl] (2S)-2-amino-3-hydroxypropanoate (CAS 76174-56-6) is a chemical compound with the molecular formula C25H39N7O18S and a molecular weight of 757.7 g/mol. IUPAC name: [(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,5-dihydroxy-6-sulfooxycyclohexyl] (2S)-2-amino-3-hydroxypropanoate. InChIKey: UXRHCHSWRDOIED-QVEOBRIHSA-N.
| Molecular formula | C25H39N7O18S |
|---|---|
| Molecular weight | 757.7 g/mol |
| IUPAC name | [(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,5-dihydroxy-6-sulfooxycyclohexyl] (2S)-2-amino-3-hydroxypropanoate |
| InChIKey | UXRHCHSWRDOIED-QVEOBRIHSA-N |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@@H]([C@H]([C@H]([C@@H]4OC(=O)[C@H](CO)N)OS(=O)(=O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)N)O)O)O)N |
Computed by PubChem (NCBI)