Ferroporphyrin

3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;bis(1H-imidazole);iron(3+)

Also Known As: Ferroporphyrin|Ferrous porphyrin|FERROPORPHYRIN [WHO-DD]|BIS(IMIDAZOLE) PROTOPORPHYRIN IX IRON(III)|3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;1H-imidazole;iron(3+)|21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-, iron complex|3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; 1H-imidazole; iron(3+)|FERRATE(1-), (7,12-DIETHENYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(4-)-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)BIS(1H-IMIDAZOLE-.KAPPA.N3)-, DIHYDROGEN, (OC-6-13)-|FERRATE(1-), (7,12-DIETHENYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(4-)-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)BIS(1H-IMIDAZOLE-.KAPPA.N3)-, HYDROGEN (1:2), (OC-6-13)-|FERRATE(1-), (7,12-DIETHENYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(4-)-N21,N22,N23,N24)BIS(1H-IMIDAZOLE-N3)-, DIHYDROGEN, (OC-6-13)-|Iron(1+), (7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(2-)-N21,N22,N23,N24)bis(1H-imidazole-N3)-, (OC-6-13)-|IRON(1+), (DIHYDROGEN 3,7,12,17-TETRAMETHYL-8,13-DIVINYL-2,18-PORPHINEDIPROPIONATO(2-))BIS(IMIDAZOLE)-, ION

Molecular Formula	C40H40FeN8O4+
Molecular Weight	752.2522 g/mol
LogP	4.83014
Topological Polar Surface Area	165.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	752.2522
Monoisotopic Mass	752.2522
Heavy Atoms	53
Complexity	1020.0

Chemical Identifiers

CAS Number	25875-11-0
SMILES	[H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)[O-])CCC(=O)[O-].C1=CN=CN1.C1=CN=CN1.[Fe+3]
InChIKey	WOVNFDJKKXBQSX-UHFFFAOYSA-L