Mithramycin magnesium salt
TL;DR: Mithramycin magnesium salt (CAS 62345-81-7) is a chemical compound with molecular formula C52H76MgO24+2 and molecular weight 1108.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
magnesium (2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
Also Known As: Mithramycin magnesium salt, magnesium (2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
| Molecular Formula | C52H76MgO24+2 |
|---|---|
| Molecular Weight | 1108.46 g/mol |
| LogP | -0.63008 |
| Topological Polar Surface Area | 358.2 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 15 |
| Exact Mass | 1108.4576 |
| Heavy Atoms | 77 |
| Complexity | 2362.512 |
Chemical Identifiers
| CAS Number | 62345-81-7 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)C([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O.[Mg+2] |
Product Overview
Mithramycin magnesium salt (CAS 62345-81-7), with molecular formula C52H76MgO24+2 and molecular weight 1108.46 g/mol. IUPAC: magnesium (2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one.
Chemical Property Profile of Mithramycin magnesium salt
Property Insights of Mithramycin magnesium salt
The XLogP value of -0.63008 indicates that Mithramycin magnesium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 358.2 Ų indicates high polarity, suggesting Mithramycin magnesium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mithramycin magnesium salt has 11 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mithramycin magnesium salt?
The CAS number of Mithramycin magnesium salt is 62345-81-7.
What is the molecular formula of Mithramycin magnesium salt?
The molecular formula of Mithramycin magnesium salt is C52H76MgO24+2.
What is the molecular weight of Mithramycin magnesium salt?
The molecular weight of Mithramycin magnesium salt is 1108.46 g/mol.
Where can I buy Mithramycin magnesium salt?
You can request a quote for Mithramycin magnesium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mithramycin magnesium salt?
Yes, KEHONG BIO provides custom synthesis services for Mithramycin magnesium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.