Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII Z8830U53UE
EPA CompTox DTXSID60858781

Structure

InChI Key JFVMOLRNQCNLCH-UHFFFAOYSA-J
Smiles [K+].[K+].O=C1O[Sb-]23OC1C1O[Sb-]4(OC(C(O2)C(=O)O3)C(=O)O4)OC1=O
InChI
InChI=1S/2C4H4O6.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2H,(H,7,8)(H,9,10);;/q2*-2;2*+3/p-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4O12Sb2
Molecular Weight 533.78
AlogP -12.87
Hydrogen Bond Acceptor 12.0
Number of Rotational Bond 6.0
Polar Surface Area 252.76
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 11071-15-1
NORMAN SUSDAT
FDA SRS Z8830U53UE