calciumbis(N-(1-adamantyl)-3-oxo-2,4,11,14,17,20-hexaoxa-3lambda5-phosphatricyclo[19.4.0.05,10]pentacosa-1(25),5,7,9,21,23-hexaen-3-amine)diperchlorate

calcium;bis(N-(1-adamantyl)-3-oxo-2,4,11,14,17,20-hexaoxa-3lambda5-phosphatricyclo[19.4.0.05,10]pentacosa-1(25),5,7,9,21,23-hexaen-3-amine);diperchlorate

CAS: 136370-89-3

Molecular Formula	`C56H72CaCl2N2O22P2`
Molecular Weight	1298.1 g/mol
Topological Polar Surface Area	318.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	24
Rotatable Bonds	4
Exact Mass	1296.3055
Heavy Atoms	85
Complexity	813.0

Chemical Identifiers

CAS Number	136370-89-3
SMILES	`C1COCCOC2=CC=CC=C2OP(=O)(OC3=CC=CC=C3OCCO1)NC45CC6CC(C4)CC(C6)C5.C1COCCOC2=CC=CC=C2OP(=O)(OC3=CC=CC=C3OCCO1)NC45CC6CC(C4)CC(C6)C5.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2]`
InChIKey	`AYQRLJVPSUVHGB-UHFFFAOYSA-L`

📖 Product Overview

calciumbis(N-(1-adamantyl)-3-oxo-2,4,11,14,17,20-hexaoxa-3lambda5-phosphatricyclo[19.4.0.05,10]pentacosa-1(25),5,7,9,21,23-hexaen-3-amine)diperchlorate (CAS: 136370-89-3) is a chemical compound with molecular formula C56H72CaCl2N2O22P2 and molecular weight 1298.1 g/mol. Its IUPAC systematic name is calcium;bis(N-(1-adamantyl)-3-oxo-2,4,11,14,17,20-hexaoxa-3lambda5-phosphatricyclo[19.4.0.05,10]pentacosa-1(25),5,7,9,21,23-hexaen-3-amine);diperchlorate. Topological Polar Surface Area 318.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 24 Rotatable Bonds 4 Exact Mass 1296.3055 Heavy Atoms 85 Complexity 813.0 InChI Key: AYQRLJVPSUVHGB-UHFFFAOYSA-L. SMILES: C1COCCOC2=CC=CC=C2OP(=O)(OC3=CC=CC=C3OCCO1)NC45CC6CC(C4)CC(C6)C5.C1COCCOC2=CC=CC=C2OP(=O)(OC3=CC=CC=C3OCCO1)NC45CC6CC(C4)CC(C6)C5.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2].

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for calciumbis(N-(1-adamantyl)-3-oxo-2,4,11,14,17,20-hexaoxa-3lambda5-phosphatricyclo[19.4.0.05,10]pentacosa-1(25),5,7,9,21,23-hexaen-3-amine)diperchlorate.

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