CALCIUM L-GLUTAMATE (1:2)

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

Structure

InChI Key ZKUDDWCZGPUNQH-MINUCSRNSA-J
Smiles [CaH2].N[C@@H](CCC(=O)[O-])C(=O)[O-].N[C@@H](CCC(=O)[O-])C(=O)[O-]
InChI
InChI=1/2C5H9NO4.Ca.2H/c2*6-3(5(9)10)1-2-4(7)8;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;;/q;;+2;;/p-4/r2C5H9NO4.CaH2/c2*6-3(5(9)10)1-2-4(7)8;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);1H2/q;;+2/p-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16CaN2O8
Molecular Weight 332.05
AlogP -7.73
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 212.56
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 5996-22-5
NORMAN SUSDAT
CONTENTS