hematin

3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+);hydrate

CAS: 15489-90-4

Molecular Formula	`C34H34FeN4O5`
Molecular Weight	634.5 g/mol
Topological Polar Surface Area	103.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	634.18787
Heavy Atoms	44
Complexity	1010.0

Chemical Identifiers

CAS Number	15489-90-4
SMILES	`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)C)C=C)C)CCC(=O)O)CCC(=O)O.O.[Fe+2]`
InChIKey	`CODDGSIFXYHHJO-UHFFFAOYSA-L`

📖 Product Overview

hematin (CAS: 15489-90-4) is a chemical compound with molecular formula C34H34FeN4O5 and molecular weight 634.5 g/mol. Its IUPAC systematic name is 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+);hydrate. Topological Polar Surface Area 103.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 8 Exact Mass 634.18787 Heavy Atoms 44 Complexity 1010.0 InChI Key: CODDGSIFXYHHJO-UHFFFAOYSA-L. SMILES: 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)C)C=C)C)CCC(=O)O)CCC(=O)O.O.[Fe+2].

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