Fe(Iii) Uroporphyrin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 5
Total Number of Articles : 8
PubChem 137350087
Molecular Formula

C40H36FeN4O16-2

SMILES

C1=C2C(=C(C(=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C1=N5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)[N-]2)CC(=O)O)CCC(=O)O.[Fe]

InChI

InChI=1S/C40H38N4O16.Fe/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29;/h13-16H,1-12H2,(H10,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60);/p-2

synonyms
  • Fe(Iii) Uroporphyrin
  • {3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(2-)}iron
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Properties
Property Value
MW 884.6 g/mol
HBD 8
HBA 20
Rotatable Bond Count 20
Exact Mass 884.147567 g/mol
Monoisotopic Mass 884.147567 g/mol
Heavy Atom Count 61
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 2240
xlogp None
Topological Polar Surface Area 325