8-Bromo-8-demethylriboflavin
8-bromo-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Also Known As: 8-Bromoriboflavin|8-Bromo-8-demethylriboflavin|KST-1B4951|7-Methyl-8-bromo-10-(1'-D-ribityl)isoalloxazine|1-(8-bromo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-1-deoxy-d-ribitol|8-bromo-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione|1-(8-Bromo-4-hydroxy-7-methyl-2-oxobenzo[g]pteridin-10(2H)-yl)-1-deoxy-D-ribitol|1-(8-Bromo-4-hydroxy-7-methyl-2-oxobenzo[g]pteridin-10(2H)-yl)-1-deoxypentitol
| Molecular Formula | C16H17BrN4O6 |
|---|---|
| Molecular Weight | 440.03314 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.03314 |
| Monoisotopic Mass | 440.03314 |
| Heavy Atoms | 27 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 53347-31-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Br)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O |
| InChIKey | RTKPTZLXBPBWTM-LOWVWBTDSA-N |
Product Overview
8-Bromo-8-demethylriboflavin (CAS 53347-31-2), with molecular formula C16H17BrN4O6 and molecular weight 440.03314 g/mol. IUPAC: 8-bromo-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione.