TL;DR: Hydroxycoprogen (CAS 135467-86-6) is a chemical compound with molecular formula C35H53FeN6O14 and molecular weight 837.29694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-5-[3-[5-[3-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 2-acetamido-5-[[(E)-4,5-dihydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate;iron(3+)
Also Known As: Hydroxycoprogen, [(Z)-5-[3-[5-[3-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 2-acetamido-5-[[(E)-4,5-dihydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate;iron(3+), [(Z)-5-[3-[5-[3-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 2-acetamido-5-[[(E)-4,5-dihydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate; iron(3+)
| Molecular Formula | C35H53FeN6O14 |
| Molecular Weight | 837.29694 g/mol |
| XLogP | -0.7006 |
| Topological Polar Surface Area (TPSA) | 304.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 25 |
| Exact Mass | 837.29694 Da |
| Heavy Atoms | 56 |
| Complexity | 1430.0 |
| SMILES | C/C(=C/C(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)/C=C(/C)\CCOC(=O)C(CCCN(C(=O)/C=C(\C)/C(CO)O)[O-])NC(=O)C)[O-])[O-])/CCO.[Fe+3] |
| InChIKey | PHXCPEJBBJLVKD-WNGUBTJFSA-N |
The XLogP value of -0.7006 indicates that Hydroxycoprogen is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.0 Ų indicates high polarity, suggesting Hydroxycoprogen may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydroxycoprogen has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Hydroxycoprogen is 135467-86-6.
The molecular formula of Hydroxycoprogen is C35H53FeN6O14.
The molecular weight of Hydroxycoprogen is 837.29694 g/mol.
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