Calcium(2+), (1,2-ethanediylbis(oxy-2,1-ethanediyloxy)-2,1-phenylene)bis(ethyl tricyclo(3.3.1.1(sup 3,7))dec-1-ylphosphoramidate))-, diperchlorate
Basic information
- CAS
135719-18-5- Standard SMILES
CCOP(=O)(NC12CC3CC(CC(C3)C1)C2)Oc1ccccc1OCCOCCOCCOc1ccccc1OP(=O)(NC12CC3CC(CC(C3)C1)C2)OCC.[Ca+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]- InChIKey
NAPPLPSHCUAOSU-UHFFFAOYSA-L- Molecular formula
- C42H62CaCl2N2O18P2
- Average molar mass
- 1,055.9 g/mol
- Monoisotopic mass
- 1,054.2475834
Names & identifiers
- Preferred name
- Calcium(2+), (1,2-ethanediylbis(oxy-2,1-ethanediyloxy)-2,1-phenylene)bis(ethyl tricyclo(3.3.1.1(sup 3,7))dec-1-ylphosphoramidate))-, diperchlorate
- IUPAC
- calcium;N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]adamantan-1-amine;diperchlorate
Names & synonyms
135719-18-5Calcium(2+), (1,2-ethanediylbis(oxy-2,1-ethanediyloxy)-2,1-phenylene)bis(ethyl tricyclo(3.3.1.1(sup 3,7))dec-1-ylphosphoramidate))-, diperchlorateRefChem:1080707
Database identifiers
- CAS
135719-18-5- PubChem CID
- 64625
Properties
Computed structural properties
- Topological polar surface area
- 281 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 23
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,280
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Compound notes
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