AC1MHLVL
[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-ethylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate
Also Known As: 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt|N-Ethyl-N-theophyllinyl-7'-ethylamidophosphate de (trimethylammonium-3)propyle [French]|N-Ethyl-N-theophyllinyl-7'-ethylamidophosphate de (trimethylammonium-3)propyle|[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-ethylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate
| Molecular Formula | C17H31N6O5P |
|---|---|
| Molecular Weight | 430.20935 g/mol |
| LogP | -0.6631 |
| Topological Polar Surface Area | 114.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.20935 |
| Monoisotopic Mass | 430.20935 |
| Heavy Atoms | 29 |
| Complexity | 1018.2058 |
Chemical Identifiers
| CAS Number | 70299-75-1 |
|---|---|
| SMILES | CCN(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)P(=O)([O-])OCCC[N+](C)(C)C |
Product Overview
AC1MHLVL (CAS 70299-75-1), with molecular formula C17H31N6O5P and molecular weight 430.20935 g/mol. IUPAC: [2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-ethylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate.
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