calciumN-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]adamantan-1-aminediperchlorate
calcium;N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]adamantan-1-amine;diperchlorate
| Molecular Formula | C42H62CaCl2N2O18P2 |
|---|---|
| Molecular Weight | 1055.9 g/mol |
| Topological Polar Surface Area | 281.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Exact Mass | 1054.2476 |
| Heavy Atoms | 67 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 135719-18-5 |
|---|---|
| SMILES | CCOP(=O)(NC12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4OCCOCCOCCOC5=CC=CC=C5OP(=O)(NC67CC8CC(C6)CC(C8)C7)OCC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2] |
| InChIKey | NAPPLPSHCUAOSU-UHFFFAOYSA-L |
📖 Product Overview
calciumN-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]adamantan-1-aminediperchlorate (CAS: 135719-18-5) is a chemical compound with molecular formula C42H62CaCl2N2O18P2 and molecular weight 1055.9 g/mol. Its IUPAC systematic name is calcium;N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]adamantan-1-amine;diperchlorate.
NAPPLPSHCUAOSU-UHFFFAOYSA-L.
SMILES: CCOP(=O)(NC12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4OCCOCCOCCOC5=CC=CC=C5OP(=O)(NC67CC8CC(C6)CC(C8)C7)OCC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2].
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