Manganese (III) hematoporphyrin
3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;manganese(3+)
Also Known As: Mn(III) Hematoporphyrin|Manganese (III) hematoporphyrin|3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;manganese(3+)|3-[8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; manganese(3+)|Manganate(1-), (7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H-23H-porphine-2,18-dipropanoato(2-)-N21,N22,N23,N24)-, hydrogen, (SP-4-2)-
| Molecular Formula | C34H35MnN4O6 |
|---|---|
| Molecular Weight | 650.1937 g/mol |
| LogP | 2.28784 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 650.1937 |
| Monoisotopic Mass | 650.1937 |
| Heavy Atoms | 45 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 69997-72-4 |
|---|---|
| SMILES | [H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)O)C)C(C)O)C)CCC(=O)[O-])CCC(=O)[O-].[Mn+3] |
| InChIKey | DSGJFYJFXDJHCD-UHFFFAOYSA-K |
Product Overview
Manganese (III) hematoporphyrin (CAS 69997-72-4), with molecular formula C34H35MnN4O6 and molecular weight 650.1937 g/mol. IUPAC: 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;manganese(3+).