AC1NTO58
ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate
Also Known As: ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate|(5Z)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[ethoxy(hydroxy)methylidene]-1H-imidazol-4-one|1,4-Anhydro-1-{(5Z)-5-[ethoxy(hydroxy)methylidene]-4-oxo-4,5-dihydro-1H-imidazol-2-yl}pentitol|2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[ethoxy(hydroxy)methylidene]-1H-imidazol-4-one
| Molecular Formula | C11H16N2O7 |
|---|---|
| Molecular Weight | 288.09576 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.09576 |
| Monoisotopic Mass | 288.09576 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 72161-14-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N1)C2C(C(C(O2)CO)O)O)O |
| InChIKey | DOQUFWFLYSEFGY-UHFFFAOYSA-N |
Product Overview
AC1NTO58 (CAS 72161-14-9), with molecular formula C11H16N2O7 and molecular weight 288.09576 g/mol. IUPAC: ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate.
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