CERIUM(3+) 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE

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

Structure

InChI Key DLNAGPYXDXKSDK-UHFFFAOYSA-K
Smiles [Ce+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
InChI
InChI=1/C6H8O7.Ce/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5CeO7
Molecular Weight 328.91
AlogP -5.25
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 140.62
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 512-24-3
NORMAN SUSDAT
CONTENTS