AC1N2CIR
[3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate
Also Known As: 9H-Purine-6-thiol, 2',3',5'-tributyrate|[3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate|9-(2,3,5-Tri-O-butanoylpentofuranosyl)-3,9-dihydro-6H-purine-6-thione|9H-Purine-6-thiol, 9-.beta.-D-ribofuranosyl-, 2',3',5'-tributyrate
CAS: 7764-80-9
| Molecular Formula | C22H30N4O7S |
|---|---|
| Molecular Weight | 494.18353 g/mol |
| LogP | 3.15339 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 494.18353 |
| Monoisotopic Mass | 494.18353 |
| Heavy Atoms | 34 |
| Complexity | 1068.9456 |
Chemical Identifiers
| CAS Number | 7764-80-9 |
|---|---|
| SMILES | CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCC)OC(=O)CCC |
Product Overview
AC1N2CIR (CAS 7764-80-9), with molecular formula C22H30N4O7S and molecular weight 494.18353 g/mol. IUPAC: [3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate.
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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