2,2'-OXYBIS[5,5-BIS(BROMOMETHYL)-1,3,2-DIOXAPHOSPHORINANE] 2,2'-DIOXIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90974443

Structure

InChI Key XKBRXFJIWDVQBE-UHFFFAOYSA-N
Smiles O=P1(OCC(CBr)(CBr)CO1)OP2(=O)OCC(CBr)(CBr)CO2
InChI
InChI=1/C10H16Br4O7P2/c11-1-9(2-12)5-17-22(15,18-6-9)21-23(16)19-7-10(3-13,4-14)8-20-23/h1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16Br4O7P2
Molecular Weight 625.71
AlogP 4.87
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 6.0
Polar Surface Area 80.29
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 58948-14-4
NORMAN SUSDAT
PubChem 100895
CONTENTS