AC1L6OB7
[4-(6-amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
Also Known As: [4-(6-amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate|2-Chloro-9-[5-O-(4-methylbenzene-1-sulfonyl)-2,3-O-(1-methylethylidene)pentofuranosyl]-9H-purin-6-amine
CAS: 53458-44-9
| Molecular Formula | C20H22ClN5O6S |
|---|---|
| Molecular Weight | 495.09793 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.09793 |
| Monoisotopic Mass | 495.09793 |
| Heavy Atoms | 33 |
| Complexity | 822.0 |
Chemical Identifiers
| CAS Number | 53458-44-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(O2)N4C=NC5=C(N=C(N=C54)Cl)N)OC(O3)(C)C |
| InChIKey | FVXNGVSQUYYMBV-UHFFFAOYSA-N |
Product Overview
AC1L6OB7 (CAS 53458-44-9), with molecular formula C20H22ClN5O6S and molecular weight 495.09793 g/mol. IUPAC: [4-(6-amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate.
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.
View MSDS →
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