mithramycin a
TL;DR: mithramycin a (CAS 18378-89-7) is a chemical compound with molecular formula C52H76O24 and molecular weight 1084.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R,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 a, plicamycin, Mithramycinum, Mithramycine, Mitramicina
| Molecular Formula | C52H76O24 |
|---|---|
| Molecular Weight | 1084.47 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 358.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 15 |
| Exact Mass | 1084.4727 |
| Heavy Atoms | 76 |
| Complexity | 1940.0 |
Chemical Identifiers
| CAS Number | 18378-89-7 |
|---|---|
| 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@H]([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 |
| InChIKey | CFCUWKMKBJTWLW-WZIVUMCRSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
mithramycin a (CAS 18378-89-7), with molecular formula C52H76O24 and molecular weight 1084.47 g/mol. IUPAC: (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,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R,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 a
Property Insights of mithramycin a
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for mithramycin a. The TPSA of 358.0 Ų indicates high polarity, suggesting mithramycin a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, mithramycin a 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 a?
The CAS number of mithramycin a is 18378-89-7.
What is the molecular formula of mithramycin a?
The molecular formula of mithramycin a is C52H76O24.
What is the molecular weight of mithramycin a?
The molecular weight of mithramycin a is 1084.47 g/mol.
Where can I buy mithramycin a?
You can request a quote for mithramycin a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for mithramycin a?
Yes, KEHONG BIO provides custom synthesis services for mithramycin a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.