Iron(II) sodium chlorophyllin

disodium;3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate;hydron;iron(2+)

Also Known As: Sodium iron chlorophyllin|chlorophyllin|Chlorophyllinironcomplex|Iron chlorophyllin sodium|Iron(II) sodium chlorophyllin|SODIUM IRON CHLOROPHYLLIN [WHO-DD]|disodium;3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate;hydron;iron(2+)|Ferrate(3-), (18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanato(5-)-N21,N22,N23,N24)-, disodium hydrogen, (SP-4-2-(2S-trans))-|disodium; 3-[18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxido-2-oxoethyl)-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron; iron(2+)|Ferrate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-|EN21,|EN22,|EN23,|EN24]-, disodium hydrogen, (SP-4-2)- (9CI)|Ferrate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kappaN21,kappaN22,kappaN23,kappaN24]-, sodium hydrogen (1:2:1), (SP-4-2)-|iron(2+) sodium hydrogen 3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-3,18-dihydro-2h-porphin-23-id-2-yl]propanoate(1:2:1:1)

Molecular Formula	C34H32FeN4Na2O6
Molecular Weight	694.14667 g/mol
LogP	-6.65988
Topological Polar Surface Area	164.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	694.14667
Monoisotopic Mass	694.14667
Heavy Atoms	47
Complexity	1750.0

Chemical Identifiers

CAS Number	33510-07-5
SMILES	[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Fe+2]
InChIKey	OGMQNMUHVLRDRT-UHFFFAOYSA-J