1-(6-Amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid
1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylic acid
Also Known As: Regadenoson Impurity 1|Regadenoson Impurity 3|2-(4-Carboxy-1H-pyrazol-1-yl)adenosine|2-[4-(carboxy)-1H-pyrazol-1-yl]adenosine|1-(6-Amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid|1H-Pyrazole-4-carboxylic acid, 1-(6-amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-|1-(6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid|1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylic acid|1-(6-Amino-9-?-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid|1-(6-Amino-9-I(2)-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid|1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]pyrazole-4-carboxylic acid|1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazole-4-carboxylic acid|N/A
| Molecular Formula | C14H15N7O6 |
|---|---|
| Molecular Weight | 377.10837 g/mol |
| LogP | -2.0961 |
| Topological Polar Surface Area | 194.66 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.10837 |
| Monoisotopic Mass | 377.10837 |
| Heavy Atoms | 27 |
| Complexity | 1016.72253 |
Chemical Identifiers
| CAS Number | 313348-29-7 |
|---|---|
| SMILES | C1=C(C=NN1C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)C(=O)O |
Product Overview
1-(6-Amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid (CAS 313348-29-7), with molecular formula C14H15N7O6 and molecular weight 377.10837 g/mol. IUPAC: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylic acid.