Etheromycin
TL;DR: Etheromycin (CAS 66054-21-5) is a chemical compound with molecular formula C48H82O16 and molecular weight 914.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2S,4R,5R,6R)-4-hydroxy-6-[(1R)-1-[(7S,9R,10R)-2-[5-[5-[(3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-9-methoxy-2,7,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-5-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-5-methyloxan-2-yl]propaneperoxoic acid
Also Known As: Etheromycin, 2-[(2S,4R,5R,6R)-4-Hydroxy-6-[(1R)-1-[(7S,9R,10R)-2-[5-[5-[(3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-9-methoxy-2,7,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-5-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-5-methyloxan-2-yl]propaneperoxoic acid, 2-[(2S,4R,5R,6R)-4-hydroxy-6-[(1R)-1-[(6R,7R,9S)-3-[5-[5-[(3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-3,6,9-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-5-methyloxan-2-yl]propaneperoxoic acid, 2-[(2s,4r,5r,6r)-4-hydroxy-6-[(1r)-1-[(7s,9r,10r)-2-[5-[5-[(3s,4s,5r,6s)-6-hydroxy-4-methoxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-9-methoxy-2,7,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-5-[(2s,5s,6r)-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-methyl-tetrahydropyran-2-yl]propaneperoxoic acid, Septamycin, 5,15-didemethoxy-14-demethyl-5-hydroxy-27-methoxy-8,20-dimethyl-, (2S,3R,4R,5R,6S,7R,8S,27S)-
| Molecular Formula | C48H82O16 |
|---|---|
| Molecular Weight | 914.56 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 914.5603 |
| Heavy Atoms | 64 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 66054-21-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@@](OC1C2CCC(O2)C3(CCC(O3)C4(CCC5(O4)[C@@H]([C@@H](C[C@@](O5)(C)[C@H](C)[C@@H]6[C@]([C@@H](C[C@H](O6)C(C)C(=O)OO)O)(C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)OC)C)C)C)(C)O)C)OC |
| InChIKey | IQVROGAJHRXENX-HXLMOCOFSA-N |
Product Overview
Etheromycin (CAS 66054-21-5), with molecular formula C48H82O16 and molecular weight 914.56 g/mol. IUPAC: 2-[(2S,4R,5R,6R)-4-hydroxy-6-[(1R)-1-[(7S,9R,10R)-2-[5-[5-[(3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-9-methoxy-2,7,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-5-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-5-methyloxan-2-yl]propaneperoxoic acid.
Chemical Property Profile of Etheromycin
Property Insights of Etheromycin
The XLogP value of 4.9 indicates that Etheromycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting Etheromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Etheromycin 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 Etheromycin?
The CAS number of Etheromycin is 66054-21-5.
What is the molecular formula of Etheromycin?
The molecular formula of Etheromycin is C48H82O16.
What is the molecular weight of Etheromycin?
The molecular weight of Etheromycin is 914.56 g/mol.
Where can I buy Etheromycin?
You can request a quote for Etheromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etheromycin?
Yes, KEHONG BIO provides custom synthesis services for Etheromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.