Adenosine, 2-bromo-, 5'-sulfamate
[(2R,3S,4R,5R)-5-(6-amino-2-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
Also Known As: 2-bromo-5'-o-sulfamoyladenosine|Adenosine, 2-bromo-, 5'-sulfamate|5'-O-sulfamoyl 2-bromoadenosine|2-Bromo-5 -O-sulfamoyladenosine|J3.494.321D|2-Bromo-9-(5-O-sulfamoylpentofuranosyl)-9H-purin-6-amine|[(2R,3S,4R,5R)-5-(6-amino-2-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate|6-amino-2-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(sulfamoyloxymethyl)oxolan-2-yl]purine|[(2R,3S,4R,5R)-5-(6-amino-2-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
| Molecular Formula | C10H13BrN6O6S |
|---|---|
| Molecular Weight | 423.98007 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.98007 |
| Monoisotopic Mass | 423.98007 |
| Heavy Atoms | 24 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 136994-93-9 |
|---|---|
| SMILES | C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Br)N |
| InChIKey | VPWOATHUXGHCPI-UUOKFMHZSA-N |
Product Overview
Adenosine, 2-bromo-, 5'-sulfamate (CAS 136994-93-9), with molecular formula C10H13BrN6O6S and molecular weight 423.98007 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-amino-2-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate.
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