3-[18-(2-carboxylatoethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;hydron;iron(2+)

Base Information

Chemical Name:3-[18-(2-carboxylatoethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;hydron;iron(2+)
CAS No.:137397-56-9
Molecular Formula:C49H56 Fe N4 O5 . 2 H
Molecular Weight:838.85362
Hs Code.:
Wikipedia:Heme_O
Mol file:137397-56-9.mol

3-[18-(2-carboxylatoethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;hydron;iron(2+)

Synonyms:heme O

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-[18-(2-carboxylatoethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;hydron;iron(2+)

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:1168.5°Cat760mmHg
Flash Point:660.5°C
Density:g/cm³
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:15
Exact Mass:838.375657
Heavy Atom Count:59
Complexity:2070

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Canonical SMILES:[H+].[H+].CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CCC=C(C)CCC=C(C)CCC=C(C)C)O)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Fe+2]
Isomeric SMILES:[H+].[H+].CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Fe+2]

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Technology Process of 3-[18-(2-carboxylatoethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;hydron;iron(2+)

3-[18-(2-carboxylatoethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;hydron;iron(2+)

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