AC1Q6KLA
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxypurin-6-one
Also Known As: NCI60_000467|2-amino-8-(benzyloxy)-1-methyl-9-pentofuranosyl-1,9-dihydro-6h-purin-6-one|2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxy-purin-6-one|2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxypurin-6-one
CAS: 28097-22-5
| Molecular Formula | C18H21N5O6 |
|---|---|
| Molecular Weight | 403.14917 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.14917 |
| Monoisotopic Mass | 403.14917 |
| Heavy Atoms | 29 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 28097-22-5 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1N)N(C(=N2)OCC3=CC=CC=C3)C4C(C(C(O4)CO)O)O |
| InChIKey | GGBYVYDNNBAHOS-UHFFFAOYSA-N |
Product Overview
AC1Q6KLA (CAS 28097-22-5), with molecular formula C18H21N5O6 and molecular weight 403.14917 g/mol. IUPAC: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxypurin-6-one.
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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