AC1Q3SUM
4-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
Also Known As: KST-1B3035|1,5-anhydro-3-[6-chloro-2-(methylsulfanyl)-9h-purin-9-yl]-2,3-dideoxyhex-1-enitol|4-(6-chloro-2-methylsulfanyl-purin-9-yl)-2-hydroxymethyl-3,4|4-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,|4-(6-chloro-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol|4-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
| Molecular Formula | C12H13ClN4O3S |
|---|---|
| Molecular Weight | 328.0397 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0397 |
| Monoisotopic Mass | 328.0397 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 31875-40-8 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)Cl)N=CN2C3C=COC(C3O)CO |
| InChIKey | SKFKGLDGVGADBL-UHFFFAOYSA-N |
Product Overview
AC1Q3SUM (CAS 31875-40-8), with molecular formula C12H13ClN4O3S and molecular weight 328.0397 g/mol. IUPAC: 4-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol.
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