Molecule ID: 70698372

IUPAC Name: 1,4-dihydroxy-3,6-bis(2-methylpropyl)pyrazine-1,4-diium-2,5-diol;iron

Description: The molecule is a iron chelate in which the four oxygen atoms from pulcherriminic acid are coordinated with two iron atoms. A red extracellular pigment formed by a number of species of bacteria and some species of yeast after growth in media enriched in iron(III). It has a role as a biological pigment. It derives from a pulcherriminic acid.

SMILES: CC(C)CC1=C(O)[NH+](O)C(CC(C)C)=C(O)[N+]1=O.[Fe].[Fe]

SELFIES: [C][C][Branch1][C][C][C][C][=C][Branch1][C][O][NH1+1][Branch1][C][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][N+1][Ring1][=N][=O].[Fe].[Fe]

InChI: InChI=1S/C12H20N2O4.2Fe/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17;;/h7-8,17H,5-6H2,1-4H3,(H-,15,16,18);;/p+2

Molecular Properties:
- Polar Surface Area: 88.7 Ų
- LogP: nan