(4R,8S)-2,2,4,6,6,8-hexachloro-4,8-di(piperidin-1-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene

HCID 246239

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Basic information

CAS: 6944-50-9
Standard SMILES: ClP1(Cl)=N[P@](Cl)(N2CCCCC2)=NP(Cl)(Cl)=N[P@@](Cl)(N2CCCCC2)=N1
InChIKey: KRFYFVOLLQYCOH-DIVCQZSQSA-N
Molecular formula: C10H20Cl6N6P4
Average molar mass: 560.9 g/mol
Monoisotopic mass: 557.883109

Names & identifiers

Preferred name: (4R,8S)-2,2,4,6,6,8-hexachloro-4,8-di(piperidin-1-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene
IUPAC: (4R,8S)-2,2,4,6,6,8-hexachloro-4,8-di(piperidin-1-yl)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

Names & synonyms

6944-50-9NSC58915DTXSID40289079NSC-589152,2,4,6,6,8-hexachloro-4,8-di(piperidin-1-yl)-1,3,5,7,22,2,4,6,6,8-Hexachloro-4,8-di(piperidin-1-yl)-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine

Database identifiers

CAS: 6944-50-9
PubChem CID: 246239
DTXSID: DTXSID40289079

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 55.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 26
Formal charge: 0
Complexity: 657

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