(S)-BIS(LACTATO-O1,O2)IRON

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID20905003

Structure

InChI Key DKKCQDROTDCQOR-CEOVSRFSSA-L
Smiles [Fe++].C[C@H](O)C([O-])=O.C[C@H](O)C([O-])=O
InChI
InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2/t2*2-;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10FeO6
Molecular Weight 233.98
AlogP -3.77
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 120.72
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 85993-25-5
NORMAN SUSDAT
PubChem 73555295
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