3,3'-Oxybis(8,9-dibromo-2,4-dioxa-3-phosphaspiro(5.5)undecane) 3,3'-disulphide

HCID 100896

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Basic information

CAS: 58948-23-5
Standard SMILES: S=P1(OP2(=S)OCC3(CCC(Br)C(Br)C3)CO2)OCC2(CCC(Br)C(Br)C2)CO1
InChIKey: UESTXVRIKFUUHA-UHFFFAOYSA-N
Molecular formula: C16H24Br4O5P2S2
Average molar mass: 742.1 g/mol
Monoisotopic mass: 737.72739

Names & identifiers

Preferred name: 3,3'-Oxybis(8,9-dibromo-2,4-dioxa-3-phosphaspiro(5.5)undecane) 3,3'-disulphide
IUPAC: 9,10-dibromo-3-[(9,10-dibromo-3-sulfanylidene-2,4-dioxa-3λ5-phosphaspiro[5.5]undecan-3-yl)oxy]-3-sulfanylidene-2,4-dioxa-3λ5-phosphaspiro[5.5]undecane
English name: 3,3'-oxybis[8,9-dibromo-2,4-dioxa-3-phosphaspiro[5.5]undecane] 3,3'-disulphide
Molecular formula: C16H24Br4O5P2S2
Molecular weight: 742.05

Names & synonyms

58948-23-5EINECS 261-514-03,3'-Oxybis(8,9-dibromo-2,4-dioxa-3-phosphaspiro(5.5)undecane) 3,3'-disulphideDTXSID50974444UESTXVRIKFUUHA-UHFFFAOYSA-NNS000556403,3'-Oxybis(8,9-dibromo-2,4-dioxa-3lambda~5~-phosphaspiro[5.5]undecane-3-thione)3,3'-Oxybis[8,9-dibromo-2,4-dioxa-3-phosphaspiro[5.5]undecane3-sulfide]3,3'-oxybis[8,9-dibromo-2,4-dioxa-3-phosphaspiro[5.5]undecane] 3,3'-disulphide2,4-Dioxa-3-phosphaspiro[5.5]undecane, 8,9-dibromo-3-[[(8,9-dibromo-3-sulfido-2,4-dioxa-3-phosphaspiro[5.5]undec-2-yl)(3-sulfido-2,4-dioxa-3-phosphaspiro[5.5]undec-4-yl)phosphinothioyl]oxy]-, 3-sulfide

Database identifiers

CAS: 58948-23-5
PubChem CID: 100896
DTXSID: DTXSID50974444
EC Number: 261-514-0
Nikkaji: J342.565G

Properties

Computed structural properties

XLogP: 7.2
Topological polar surface area: 110 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 29
Formal charge: 0
Complexity: 649

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