Zn(II) coproporphyrin III tetrasodium salt

Catalog Number	ACM352550006
CAS	352550-00-6
Synonyms	Tetrasodium;zinc;3-[8,12,17-tris(2-carboxylatoethyl)-3,7,13,18-tetramethylporphyrin-21,23-diid-2-yl]propanoate
Molecular Weight	806.03
Molecular Formula	C36H32N4Na4O8Zn
Canonical SMILES	CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)[O-])CCC(=O)[O-])C)C(=C3C)CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Zn+2]
InChI	InChI=1S/C36H38N4O8.4Na.Zn/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;4*+1;+2/p-6
InChI Key	IHZDGVCIQAYVMR-UHFFFAOYSA-H
Purity	98%
Complexity	1730
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	804.110233
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Monoisotopic Mass	804.110233
Rotatable Bond Count	8
Topological Polar Surface Area	187 Ų