AC1LADP5
4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid
Also Known As: 3-dimethylamino-m-methylpropiophenone hydrochloride|4-(2-((2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy)ethoxy)-4-oxobutanoic acid|4-(2-((2-Amino-6-oxo-5,6-dihydro-1H-purin-9(4H)-yl)methoxy)ethoxy)-4-oxobutanoic acid|4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid|4-{2-[(2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy]ethoxy}-4-oxobutanoic acid|4-{2-[(2-amino-6-oxo-4,5,6,9-tetrahydro-1H-purin-9-yl)methoxy]ethoxy}-4-oxobutanoic acid|4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxo-butanoic acid|4-{2-[(6-Hydroxy-2-imino-2,3,4,5-tetrahydro-9H-purin-9-yl)methoxy]ethoxy}-4-oxobutanoic acid
| Molecular Formula | C12H17N5O6 |
|---|---|
| Molecular Weight | 327.1179 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 327.1179 |
| Monoisotopic Mass | 327.1179 |
| Heavy Atoms | 23 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 84499-67-2 |
|---|---|
| SMILES | C1=NC2C(N1COCCOC(=O)CCC(=O)O)N=C(NC2=O)N |
| InChIKey | GFTOQVCQFJPLTE-UHFFFAOYSA-N |
Product Overview
AC1LADP5 (CAS 84499-67-2), with molecular formula C12H17N5O6 and molecular weight 327.1179 g/mol. IUPAC: 4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid.