Pd (II) Coproporphyrin I

Catalog Number	ACM108764803
CAS	108764-80-3
Synonyms	Hydron;palladium(2+);3-[7,12,17-tris(2-carboxylatoethyl)-3,8,13,18-tetramethylporphyrin-21,23-diid-2-yl]propanoate
Molecular Weight	759.11
Molecular Formula	C36H36N4O8Pd
Canonical SMILES	[H+].[H+].[H+].[H+].CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CCC(=O)[O-])C)CCC(=O)[O-])C)C(=C3C)CCC(=O)[O-])CCC(=O)[O-].[Pd+2]
InChI	InChI=1S/C36H38N4O8.Pd/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)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;+2/p-2
InChI Key	JBIWMMIAAZYPEY-UHFFFAOYSA-L
Purity	98%
Complexity	1490
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	758.15679
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	4
Monoisotopic Mass	758.15679
Rotatable Bond Count	8
Topological Polar Surface Area	187 Ų