2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt
[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
Also Known As: Tnp-amp|2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt|[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
| Molecular Formula | C16H15N8O13P |
|---|---|
| Molecular Weight | 558.0496 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 302.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 4 |
| Exact Mass | 558.0496 |
| Monoisotopic Mass | 558.0496 |
| Heavy Atoms | 38 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 807261-75-2 |
|---|---|
| SMILES | C1=C(C=C(C2(C1[N+](=O)[O-])O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GPCDUYSOKJJUAN-DIBLVGDCSA-N |
Product Overview
2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt (CAS 807261-75-2), with molecular formula C16H15N8O13P and molecular weight 558.0496 g/mol. IUPAC: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate.
2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »