manganese(III) Uroporphyrin I
[CAS# 139385-04-9]

Identification

• Name: manganese(III) Uroporphyrin I
• Synonyms: Mnurop-I; (Sp-4-2)-(3,8,13,18-Tetrakis(Carboxymethyl)-21H,23H-Porphine-2,7,12,17-Tetrapropanoato(10-)-N21,N22,N23,N24)Manganate(7-) Heptahydrogen; Manganate(7-), (3,8,13,18-Tetrakis(Carboxymethyl)-21H,23H-Porphine-2,7,12,17-Tetrapropanoato(10-)-N21,N22,N23,N24)-, Heptahydrogen, (Sp-4-2)-
• Molecular Formula: C₄₀H₃₅MnN₄O₁₆
• Molecular Weight: 882.67
• CAS Registry Number: 139385-04-9
• SMILES: [N-]1C2=C(C(=C1C=C5[N-]C(=CC4=NC(=CC3=NC(=C2)C(=C3CC([O-])=O)CCC([O-])=O)C(=C4CC([O-])=O)CCC([O-])=O)C(=C5CC([O-])=O)CCC([O-])=O)CCC([O-])=O)CC([O-])=O.[H+].[H+].[H+].[H+].[H+].[H+].[H+].[Mn+3]
• InChI: 1S/C40H38N4O16.Mn/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)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);/q;+3/p-3
• InChIKey: OPIYITUFDWQFPD-UHFFFAOYSA-K

Properties

• Boiling point: 1542.6°C at 760 mmHg (Cal.)
• Flash point: 886.7°C (Cal.)