TL;DR: Mn(III) Uroporphyrin I (CAS 139385-04-9) is a chemical compound with molecular formula C40H35MnN4O16 and molecular weight 882.1428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hydron;manganese(3+);3-[7,12,17-tris(2-carboxylatoethyl)-3,8,13,18-tetrakis(carboxylatomethyl)porphyrin-21,24-diid-2-yl]propanoate
Also Known As: Mnurop-I, Mn(III) Uroporphyrin 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)-, hydron; manganese(3+); 3-[3,8,13,18-tetrakis(2-oxido-2-oxoethyl)-7,12,17-tris(3-oxido-3-oxopropyl)porphyrin-21,22-diid-2-yl]propanoate
| Molecular Formula | C40H35MnN4O16 |
| Molecular Weight | 882.1428 g/mol |
| XLogP | -6.5304 |
| Topological Polar Surface Area (TPSA) | 349.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 882.1428 Da |
| Heavy Atoms | 61 |
| Complexity | 1350.0 |
| SMILES | [H+].[H+].[H+].[H+].[H+].[H+].[H+].C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1[N-]5)CC(=O)[O-])CCC(=O)[O-])C(=C4CCC(=O)[O-])CC(=O)[O-])C(=C3CCC(=O)[O-])CC(=O)[O-])[N-]2)CC(=O)[O-])CCC(=O)[O-].[Mn+3] |
| InChIKey | OPIYITUFDWQFPD-UHFFFAOYSA-K |
The XLogP value of -6.5304 indicates that Mn(III) Uroporphyrin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 349.0 Ų indicates high polarity, suggesting Mn(III) Uroporphyrin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mn(III) Uroporphyrin I has 7 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Mn(III) Uroporphyrin I is 139385-04-9.
The molecular formula of Mn(III) Uroporphyrin I is C40H35MnN4O16.
The molecular weight of Mn(III) Uroporphyrin I is 882.1428 g/mol.
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