Naphthyridinomycin
(16S,21R)-21-hydroxy-16-(hydroxymethyl)-12,13-dimethoxy-20-methyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-11,14-dione
Also Known As: Naphthyridinomycin|DADMe-ImmH|(16S,21R)-21-Hydroxy-16-(hydroxymethyl)-12,13-dimethoxy-20-methyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-11,14-dione|(7R,9S)-7-Hydroxy-9-(hydroxymethyl)-11,12-dimethoxy-5-methyl-1,2,3a,4,4a,6,7,9,13b,13c-decahydro-5H-4,6-methanobenzo[h][1,3]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-10,13-dione|7-Hydroxy-9-(hydroxymethyl)-11,12-dimethoxy-5-methyl-1,2,3a,4,4a,6,7,9,13b,13c-decahydro-5H-4,6-methanobenzo[h][1,3]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-10,13-dione
| Molecular Formula | C21H27N3O7 |
|---|---|
| Molecular Weight | 433.1849 g/mol |
| LogP | -1.9543 |
| Topological Polar Surface Area | 112.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.1849 |
| Monoisotopic Mass | 433.1849 |
| Heavy Atoms | 31 |
| Complexity | 931.93414 |
Chemical Identifiers
| CAS Number | 62046-87-1 |
|---|---|
| SMILES | CN1C2CC3C1C4C(C5=C([C@H](N4[C@@H]2O)CO)C(=O)C(=C(C5=O)OC)OC)N6C3OCC6 |
Product Overview
Naphthyridinomycin (CAS 62046-87-1), with molecular formula C21H27N3O7 and molecular weight 433.1849 g/mol. IUPAC: (16S,21R)-21-hydroxy-16-(hydroxymethyl)-12,13-dimethoxy-20-methyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-11,14-dione.
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