AC1NTO58 structure

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

CAS: 72161-14-9
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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