POTASSIUM [[N,N'-ETHYLENEBIS[N-(CARBOXYMETHYL)GLYCINATO]](4-)-N,N',O,O',ON,ON']INDATE(1-)

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

Structure

InChI Key APHGZMQEAHAYFM-UHFFFAOYSA-N
Smiles [K+].COC(=O)N(CCN(CC([O-])=O)C(=O)OC)CC(O)=O;[K+].[K+].COC(=O)N(CCN(CC([O-])=O)C(=O)OC)CC([O-])=O
InChI
InChI=1S/C10H16N2O8/c1-19-9(17)11(5-7(13)14)3-4-12(6-8(15)16)10(18)20-2/h3-6H2,1-2H3,(H,13,14)(H,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N2O8
Molecular Weight 292.09
AlogP -0.71
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 133.68
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 67906-11-0
NORMAN SUSDAT
CONTENTS