Megalomicin A, 4(sup A)-acetate
TL;DR: Megalomicin A, 4(sup A)-acetate (CAS 49669-75-2) is a chemical compound with molecular formula C46H82N2O16 and molecular weight 918.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] acetate
Also Known As: Megalomicin B, Megalomycin B, Antibiotic XK 41B1, 4'-Acetylmegalomicin A, Megalomicin A, 4(sup A)-acetate
| Molecular Formula | C46H82N2O16 |
|---|---|
| Molecular Weight | 918.57 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 918.5664 |
| Heavy Atoms | 64 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 49669-75-2 |
|---|---|
| SMILES | CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)C)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC4C(C(CC(O4)C)N(C)C)O)C)C)O)(C)O |
| InChIKey | KHOCFDNYFNYCOL-UHFFFAOYSA-N |
Product Overview
Megalomicin A, 4(sup A)-acetate (CAS 49669-75-2), with molecular formula C46H82N2O16 and molecular weight 918.57 g/mol. IUPAC: [6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] acetate.
Chemical Property Profile of Megalomicin A, 4(sup A)-acetate
Property Insights of Megalomicin A, 4(sup A)-acetate
The XLogP value of 3.3 indicates that Megalomicin A, 4(sup A)-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 233.0 Ų indicates high polarity, suggesting Megalomicin A, 4(sup A)-acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Megalomicin A, 4(sup A)-acetate has 5 hydrogen bond donor(s) and 18 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, 4(sup A)-acetate?
The CAS number of Megalomicin A, 4(sup A)-acetate is 49669-75-2.
What is the molecular formula of Megalomicin A, 4(sup A)-acetate?
The molecular formula of Megalomicin A, 4(sup A)-acetate is C46H82N2O16.
What is the molecular weight of Megalomicin A, 4(sup A)-acetate?
The molecular weight of Megalomicin A, 4(sup A)-acetate is 918.57 g/mol.
Where can I buy Megalomicin A, 4(sup A)-acetate?
You can request a quote for Megalomicin A, 4(sup A)-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Megalomicin A, 4(sup A)-acetate?
Yes, KEHONG BIO provides custom synthesis services for Megalomicin A, 4(sup A)-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.