莫能菌素
TL;DR: 莫能菌素 (CAS 17090-79-8) is a chemical compound with molecular formula C36H61O11- and molecular weight 669.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
莫能菌素
4-[2-[5-ethyl-5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate
Also Known As: monensin, UPCMLD-DP033:001, 4-(2-{2-ethyl-5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-3'-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylpentanoate, 4-(2-{2-ethyl-5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-3'-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylpentanoa, 4-[3-[5-ethyl-5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate
| Molecular Formula | C36H61O11- |
|---|---|
| Molecular Weight | 669.42 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 669.4214 |
| Heavy Atoms | 47 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 17090-79-8 |
|---|---|
| SMILES | CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)[O-])OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C |
| InChIKey | GAOZTHIDHYLHMS-UHFFFAOYSA-M |
Product Overview
莫能菌素 (CAS 17090-79-8), with molecular formula C36H61O11- and molecular weight 669.42 g/mol. IUPAC: 4-[2-[5-ethyl-5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate.
Chemical Property Profile of 莫能菌素
Property Insights of 莫能菌素
The XLogP value of 4.8 indicates that 莫能菌素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting 莫能菌素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 莫能菌素 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 莫能菌素?
The CAS number of 莫能菌素 is 17090-79-8.
What is the molecular formula of 莫能菌素?
The molecular formula of 莫能菌素 is C36H61O11-.
What is the molecular weight of 莫能菌素?
The molecular weight of 莫能菌素 is 669.42 g/mol.
Where can I buy 莫能菌素?
You can request a quote for 莫能菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 莫能菌素?
Yes, KEHONG BIO provides custom synthesis services for 莫能菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.