HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 25201213Generated: November 4, 2026
3-[18-(2-Carboxyethyl)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)
https://huagongshe.com/en/chemical/25201213
Identifiers & Physical Properties
| CAS No. | 137397-56-9 |
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| Molecular formula | C49H58FeN4O5 |
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| Average molar mass | 838.9 g/mol |
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| Monoisotopic mass | 838.375657 g/mol |
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| SMILES | C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C(O)CCC=C(C)CCC=C(C)CCC=C(C)C.[Fe+2] |
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| InChIKey | FISPASSVCDRERW-UHFFFAOYSA-L |
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| PubChem CID | 25201213 |
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| DTXSID | DTXSID301046727 |
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Chemical & Physical Properties
| Topological polar surface area | 122 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 17 |
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| Heavy atoms | 59 |
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| Formal charge | 0 |
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| Complexity | 2,080 |
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![3-[18-(2-Carboxyethyl)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+) molecular structure](/img/chemical/25201213.png)