AC1MSXIR
3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxopurin-1-yl]propyl 3,4,5-trimethoxybenzoate
Also Known As: AO-082/13831024|3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]propyl 3,4,5-trimethoxybenzoate|3-(7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propyl 3,4,5-trimethoxybenzoate|3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxopurin-1-yl]propyl 3,4,5-trimethoxybenzoate|3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-purin-1-yl]propyl 3,4,5-trimethoxybenzoate
CAS: 354792-45-3
| Molecular Formula | C22H28N4O9 |
|---|---|
| Molecular Weight | 492.18564 g/mol |
| LogP | -0.4772 |
| Topological Polar Surface Area | 156.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 492.18564 |
| Monoisotopic Mass | 492.18564 |
| Heavy Atoms | 35 |
| Complexity | 1299.9283 |
Chemical Identifiers
| CAS Number | 354792-45-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC)N(C=N2)CC(CO)O |
Product Overview
AC1MSXIR (CAS 354792-45-3), with molecular formula C22H28N4O9 and molecular weight 492.18564 g/mol. IUPAC: 3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxopurin-1-yl]propyl 3,4,5-trimethoxybenzoate.
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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