Showing Metabocard for isoguanine (BASm0004297)
| Common Name | Isoguanine |
|---|---|
| Description | 2-Hydroxyadenine (2-OH-Ade) is formed by hydroxyl radical attack on DNA bases and shows a genotoxicity in human, being the source of the mutations induced by reactive oxygen species. 2-OH-Ade in DNA is miscoding and elicits various mutations, and is a mutagenic in bacterial and mammalian cells. (Recent Research Developments in Biochemistry (2000)2:41-50). |
| Structure | |
| Molecular Formula | C5H5N5O |
| Average Mass | 151.12610 |
| Monoisotopic Mass | 151.04941 |
| IUPAC Name | 6-amino-7H-purin-2-ol |
| Traditional Name | 6-amino-7h-purin-2-ol |
| CAS Registry Number | 3373-53-3 |
| SMILES | Nc1nc(=O)[nH]c2nc[nH]c12 |
| InChI Identifier | InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11) |
| InChI Key | DRAVOWXCEBXPTN-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:62462 |
| HMDB ID | HMDB0000403 |
| State | Solid |
| Water Solubility | 7.06e+00 g/l |
| logP | -0.65 |
| logS | -1.33 |
| pKa (Strongest Acidic) | 10.78 |
| pKa (Strongest Basic) | 2.02 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 100.71 Ų |
| Rotatable Bond Count | 0 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 40.15 m³·mol⁻¹ |
| Polarizability | 13.36 |