3'',4''-Diacetylspiramycin III
TL;DR: 3'',4''-Diacetylspiramycin III (CAS 110159-29-0) is a chemical compound with molecular formula C50H82N2O17 and molecular weight 982.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[5-(4,5-diacetyloxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-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: 3'',4''-Diacetylspiramycin III
| Molecular Formula | C50H82N2O17 |
|---|---|
| Molecular Weight | 982.56 g/mol |
| LogP | 4.4276 |
| Topological Polar Surface Area | 213.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 15 |
| Exact Mass | 982.56134 |
| Heavy Atoms | 69 |
| Complexity | 1728.9084 |
Chemical Identifiers
| CAS Number | 110159-29-0 |
|---|---|
| SMILES | CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC(=O)C)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C)C |
Product Overview
3'',4''-Diacetylspiramycin III (CAS 110159-29-0), with molecular formula C50H82N2O17 and molecular weight 982.56 g/mol. IUPAC: [6-[5-(4,5-diacetyloxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-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 3'',4''-Diacetylspiramycin III
Property Insights of 3'',4''-Diacetylspiramycin III
The XLogP value of 4.4276 indicates that 3'',4''-Diacetylspiramycin III is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.59 Ų indicates high polarity, suggesting 3'',4''-Diacetylspiramycin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'',4''-Diacetylspiramycin III has 1 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 3'',4''-Diacetylspiramycin III?
The CAS number of 3'',4''-Diacetylspiramycin III is 110159-29-0.
What is the molecular formula of 3'',4''-Diacetylspiramycin III?
The molecular formula of 3'',4''-Diacetylspiramycin III is C50H82N2O17.
What is the molecular weight of 3'',4''-Diacetylspiramycin III?
The molecular weight of 3'',4''-Diacetylspiramycin III is 982.56 g/mol.
Where can I buy 3'',4''-Diacetylspiramycin III?
You can request a quote for 3'',4''-Diacetylspiramycin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'',4''-Diacetylspiramycin III?
Yes, KEHONG BIO provides custom synthesis services for 3'',4''-Diacetylspiramycin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.