交沙霉素
TL;DR: 交沙霉素 (CAS 56689-45-3) is a chemical compound with molecular formula C42H69NO15 and molecular weight 827.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
交沙霉素
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Also Known As: josamycin, Leucomycin A3, Turimycin A5, Kitasamycin A3, Josamycine
| Molecular Formula | C42H69NO15 |
|---|---|
| Molecular Weight | 827.47 g/mol |
| LogP | 3.0134 |
| Topological Polar Surface Area | 206.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 827.46674 |
| Heavy Atoms | 58 |
| Complexity | 1385.8569 |
Chemical Identifiers
| CAS Number | 56689-45-3 |
|---|---|
| SMILES | C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)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)C)(C)O)N(C)C)O)CC=O)C)O |
Product Overview
交沙霉素 (CAS 56689-45-3), with molecular formula C42H69NO15 and molecular weight 827.47 g/mol. IUPAC: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate.
Chemical Property Profile of 交沙霉素
Property Insights of 交沙霉素
The XLogP value of 3.0134 indicates that 交沙霉素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.05 Ų indicates high polarity, suggesting 交沙霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 交沙霉素 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 交沙霉素?
The CAS number of 交沙霉素 is 56689-45-3.
What is the molecular formula of 交沙霉素?
The molecular formula of 交沙霉素 is C42H69NO15.
What is the molecular weight of 交沙霉素?
The molecular weight of 交沙霉素 is 827.47 g/mol.
Where can I buy 交沙霉素?
You can request a quote for 交沙霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 交沙霉素?
Yes, KEHONG BIO provides custom synthesis services for 交沙霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.