8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione
8-(3-chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione
Also Known As: BAS 00512119|8-(3-chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione|8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione|8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-hexadecyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-((3-chloro-2-hydroxypropyl)thio)-7-hexadecyl-3-methyl-1H-purine-2,6(3H,7H)-dione|8-(3-CL-2-HO-PROPYLSULFANYL)-7-HEXADECYL-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
| Molecular Formula | C25H43ClN4O3S |
|---|---|
| Molecular Weight | 514.2744 g/mol |
| LogP | 5.5964 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 514.2744 |
| Monoisotopic Mass | 514.2744 |
| Heavy Atoms | 34 |
| Complexity | 956.00946 |
Chemical Identifiers
| CAS Number | 316357-80-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C |
Product Overview
8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione (CAS 316357-80-9), with molecular formula C25H43ClN4O3S and molecular weight 514.2744 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione.