Octacyclomycin
TL;DR: Octacyclomycin (CAS 6289-01-6) is a chemical compound with molecular formula C52H88O19 and molecular weight 1016.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxy-6-[1-[7-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-(5-methoxy-6-methyloxan-2-yl)oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-(5-methoxy-6-methyloxan-2-yl)oxy-3-methyloxan-2-yl]acetic acid
Also Known As: Octacyclomycin, KST-1A9428, {2-hydroxy-6-[1-(9-hydroxy-2-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-3'-[(5-methoxy-6-methyltetrahydro-2h-pyran-2-yl)oxy]-2-methyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)ethyl]-5-methoxy-4-[(5-methoxy-6-methyltetrahydro-2h-pyran-2-yl)oxy]-3-methyltetrahydro-2h-pyran-2-yl}acetic acid(non-preferred name), 2-[2-hydroxy-6-[1-[7-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-(5-methoxy-6-methyloxan-2-yl)oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-(5-methoxy-6-methyloxan-2-yl)oxy-3-methyloxan-2-yl]acetic acid, Semduramicin, 30-hydroxy-5-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)-
| Molecular Formula | C52H88O19 |
|---|---|
| Molecular Weight | 1016.59 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 15 |
| Exact Mass | 1016.592 |
| Heavy Atoms | 71 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 6289-01-6 |
|---|---|
| SMILES | CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C6C(C(C(C(O6)(CC(=O)O)O)C)OC7CCC(C(O7)C)OC)OC)C)O)C)C)OC8CCC(C(O8)C)OC)(CO)O)C |
| InChIKey | KNFNZSMXPGQAER-UHFFFAOYSA-N |
Product Overview
Octacyclomycin (CAS 6289-01-6), with molecular formula C52H88O19 and molecular weight 1016.59 g/mol. IUPAC: 2-[2-hydroxy-6-[1-[7-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-(5-methoxy-6-methyloxan-2-yl)oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-(5-methoxy-6-methyloxan-2-yl)oxy-3-methyloxan-2-yl]acetic acid.
Chemical Property Profile of Octacyclomycin
Property Insights of Octacyclomycin
The XLogP value of 4.1 indicates that Octacyclomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.0 Ų indicates high polarity, suggesting Octacyclomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octacyclomycin has 5 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octacyclomycin?
The CAS number of Octacyclomycin is 6289-01-6.
What is the molecular formula of Octacyclomycin?
The molecular formula of Octacyclomycin is C52H88O19.
What is the molecular weight of Octacyclomycin?
The molecular weight of Octacyclomycin is 1016.59 g/mol.
Where can I buy Octacyclomycin?
You can request a quote for Octacyclomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octacyclomycin?
Yes, KEHONG BIO provides custom synthesis services for Octacyclomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.