Megalomicin A
TL;DR: Megalomicin A (CAS 28022-11-9) is a chemical compound with molecular formula C44H80N2O15 and molecular weight 876.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Also Known As: Megalomicin A, Megalomicin, Megalomicina, Megalomicine, piperacillin
| Molecular Formula | C44H80N2O15 |
|---|---|
| Molecular Weight | 876.56 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 876.55585 |
| Heavy Atoms | 61 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 28022-11-9 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O[C@H]4C[C@H]([C@H]([C@@H](O4)C)O)N(C)C)C)C)O)(C)O |
| InChIKey | LRWRQTMTYVZKQW-WWDNQWNISA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Megalomicin A (CAS 28022-11-9), with molecular formula C44H80N2O15 and molecular weight 876.56 g/mol. IUPAC: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.
Chemical Property Profile of Megalomicin A
Property Insights of Megalomicin A
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Megalomicin A. The TPSA of 227.0 Ų indicates high polarity, suggesting Megalomicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Megalomicin A has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Megalomicin A?
The CAS number of Megalomicin A is 28022-11-9.
What is the molecular formula of Megalomicin A?
The molecular formula of Megalomicin A is C44H80N2O15.
What is the molecular weight of Megalomicin A?
The molecular weight of Megalomicin A is 876.56 g/mol.
Where can I buy Megalomicin A?
You can request a quote for Megalomicin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Megalomicin A?
Yes, KEHONG BIO provides custom synthesis services for Megalomicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.