AC1MHLV8
[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate
Also Known As: Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate|Theophyllinyl-7' ethylamidophosphate de (trimethylammonium-3) propyle [French]|Theophyllinyl-7' ethylamidophosphate de (trimethylammonium-3) propyle|[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate
| Molecular Formula | C15H27N6O5P |
|---|---|
| Molecular Weight | 402.17807 g/mol |
| LogP | -1.3954 |
| Topological Polar Surface Area | 123.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.17807 |
| Monoisotopic Mass | 402.17807 |
| Heavy Atoms | 27 |
| Complexity | 969.94867 |
Chemical Identifiers
| CAS Number | 70299-73-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNP(=O)([O-])OCCC[N+](C)(C)C |
Product Overview
AC1MHLV8 (CAS 70299-73-9), with molecular formula C15H27N6O5P and molecular weight 402.17807 g/mol. IUPAC: [2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate.
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