calcium; 2-azanylpentanedioic acid; 2,3-bis(oxidanyl)butanedioate; pentahydrate

Systemtic Name: calcium; 2-azanylpentanedioic acid; 2,3-bis(oxidanyl)butanedioate; pentahydrate Openeye Name: calcium; 2-aminopentanedioic acid; 2,3-dihydroxybutanedioate; pentahydrate CAS Name: calcium; 2-aminopentanedioic acid; 2,3-dihydroxybutanedioate; pentahydrate IUPAC Name: calcium; 2-aminopentanedioic acid; 2,3-dihydroxybutanedioate; pentahydrate Traditional Name: calcium 2-aminoglutaric acid tartrate pentahydrate Formula: C9H23CaNO15 MolecularWeight: 425.35462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(C(=O)O)N.C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.O.[Ca+2]

Isomeric SMILES

C(CC(=O)O)C(C(=O)O)N.C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.O.[Ca+2]

InChI

InChI=1S/C5H9NO4.C4H6O6.Ca.5H2O/c6-3(5(9)10)1-2-4(7)8;5-1(3(7)8)2(6)4(9)10;;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2,5-6H,(H,7,8)(H,9,10);;5*1H2/q;;+2;;;;;/p-2