PHOSPHONIUM, TETRAKIS(HYDROXYMETHYL)-, SULFATE (2:1)

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
UNII 5I8RSL9E6S
EPA CompTox DTXSID0021331

Structure

InChI Key YIEDHPBKGZGLIK-UHFFFAOYSA-L
Smiles [O-]S([O-])(=O)=O.OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO
InChI
InChI=1S/2C4H12O4P.H2O4S/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H24O12P2S
Molecular Weight 406.05
AlogP -3.73
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 8.0
Polar Surface Area 242.1
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 55566-30-8
NORMAN SUSDAT
FDA SRS 5I8RSL9E6S
CONTENTS