9-Acetylmidecamycin
TL;DR: 9-Acetylmidecamycin (CAS 35457-78-4) is a chemical compound with molecular formula C43H69NO16 and molecular weight 855.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
Also Known As: 9-Acetylmidecamycin, 9-O-acetylmidecamycin, Leucomycin V, 9-acetate 3,4(B)-dipropanoate, [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
| Molecular Formula | C43H69NO16 |
|---|---|
| Molecular Weight | 855.46 g/mol |
| LogP | 3.3382 |
| Topological Polar Surface Area | 212.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Exact Mass | 855.4616 |
| Heavy Atoms | 60 |
| Complexity | 1467.7579 |
Chemical Identifiers
| CAS Number | 35457-78-4 |
|---|---|
| SMILES | CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)OC(=O)C)C |
Product Overview
9-Acetylmidecamycin (CAS 35457-78-4), with molecular formula C43H69NO16 and molecular weight 855.46 g/mol. IUPAC: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate.
Chemical Property Profile of 9-Acetylmidecamycin
Property Insights of 9-Acetylmidecamycin
The XLogP value of 3.3382 indicates that 9-Acetylmidecamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 212.12 Ų indicates high polarity, suggesting 9-Acetylmidecamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Acetylmidecamycin has 2 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 9-Acetylmidecamycin?
The CAS number of 9-Acetylmidecamycin is 35457-78-4.
What is the molecular formula of 9-Acetylmidecamycin?
The molecular formula of 9-Acetylmidecamycin is C43H69NO16.
What is the molecular weight of 9-Acetylmidecamycin?
The molecular weight of 9-Acetylmidecamycin is 855.46 g/mol.
Where can I buy 9-Acetylmidecamycin?
You can request a quote for 9-Acetylmidecamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Acetylmidecamycin?
Yes, KEHONG BIO provides custom synthesis services for 9-Acetylmidecamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.