Hemin

• Catalog Number: ACM16009135-1
• Product Name: Hemin
• CAS: 16009-13-5
• Category: Heterocyclic Organic Compound
• Synonyms: Panhematin
• IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoicacid;iron(3+);chloride
• Molecular Weight: 651.94
• Molecular Formula: C34H32ClFeN4O4
• Canonical 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.[Cl-].[Fe+3]
• InChI: InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3
• InChI Key: BTIJJDXEELBZFS-UHFFFAOYSA-K
• Melting Point: 300 °C
• Appearance: Black crystal
• Storage: 2 - 8 °C
• Hazard Statements: Xi
• Safety Description: 24/25-22-36-26

Custom Q&A

What is the molecular formula of heme?

The molecular formula of heme is C34H32FeN4O4.

What is the molecular weight of heme?

The molecular weight of heme is 616.5 g/mol.

What is heme a metabolite of in Escherichia coli?

Heme is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

What is the IUPAC name of heme?

The IUPAC name of heme is 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+).

What is the InChIKey of heme?

The InChIKey of heme is KABFMIBPWCXCRK-UHFFFAOYSA-L.

What is the Canonical SMILES of heme?

The Canonical SMILES of heme is 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.[Fe+2].

What is the CAS number of heme?

The CAS number of heme is 14875-96-8.

What is the hydrogen bond donor count of heme?

The hydrogen bond donor count of heme is 2.

What is the hydrogen bond acceptor count of heme?

The hydrogen bond acceptor count of heme is 8.

What is the topological polar surface area of heme?

The topological polar surface area of heme is 102 Ų.