Notonesomycin
TL;DR: Notonesomycin (CAS 102525-63-3) is a chemical compound with molecular formula C68H111NO30S and molecular weight 1453.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(17E)-14-[3,5-dihydroxy-7-[4-[3-(5-hydroxy-6-methyloxan-2-yl)oxy-4-(methylamino)benzoyl]oxy-5-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethylnonan-2-yl]-5,9,20,22,28,29,30,31-octahydroxy-13,27-dimethyl-16-oxo-32-sulfooxy-11,15,34-trioxatricyclo[28.3.1.010,12]tetratriacont-17-en-3-yl]oxy]-3-oxopropanoic acid
Also Known As: Notonesomycin A, Notonesomycin, 3-[[(17E)-14-[3,5-dihydroxy-7-[4-[3-(5-hydroxy-6-methyloxan-2-yl)oxy-4-(methylamino)benzoyl]oxy-5-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethylnonan-2-yl]-5,9,20,22,28,29,30,31-octahydroxy-13,27-dimethyl-16-oxo-32-sulfooxy-11,15,34-trioxatricyclo[28.3.1.010,12]tetratriacont-17-en-3-yl]oxy]-3-oxopropanoic acid
| Molecular Formula | C68H111NO30S |
|---|---|
| Molecular Weight | 1453.69 g/mol |
| LogP | 2.4842 |
| Topological Polar Surface Area | 482.27 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 20 |
| Exact Mass | 1453.6912 |
| Heavy Atoms | 100 |
| Complexity | 2875.3838 |
Chemical Identifiers
| CAS Number | 102525-63-3 |
|---|---|
| SMILES | CCC(C(C)C(C(C)C(C(C)C1C(C2C(O2)C(CCCC(CC(CC3CC(C(C(O3)(C(C(C(CCCCC(CC(C/C=C/C(=O)O1)O)O)C)O)O)O)O)OS(=O)(=O)O)OC(=O)CC(=O)O)O)O)C)O)O)OC4CC(C(C(O4)C)OC)OC(=O)C5=CC(=C(C=C5)NC)OC6CCC(C(O6)C)O |
Product Overview
Notonesomycin (CAS 102525-63-3), with molecular formula C68H111NO30S and molecular weight 1453.69 g/mol. IUPAC: 3-[[(17E)-14-[3,5-dihydroxy-7-[4-[3-(5-hydroxy-6-methyloxan-2-yl)oxy-4-(methylamino)benzoyl]oxy-5-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethylnonan-2-yl]-5,9,20,22,28,29,30,31-octahydroxy-13,27-dimethyl-16-oxo-32-sulfooxy-11,15,34-trioxatricyclo[28.3.1.010,12]tetratriacont-17-en-3-yl]oxy]-3-oxopropanoic acid.
Chemical Property Profile of Notonesomycin
Property Insights of Notonesomycin
The XLogP value of 2.4842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Notonesomycin. The TPSA of 482.27 Ų indicates high polarity, suggesting Notonesomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Notonesomycin has 14 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Notonesomycin?
The CAS number of Notonesomycin is 102525-63-3.
What is the molecular formula of Notonesomycin?
The molecular formula of Notonesomycin is C68H111NO30S.
What is the molecular weight of Notonesomycin?
The molecular weight of Notonesomycin is 1453.69 g/mol.
Where can I buy Notonesomycin?
You can request a quote for Notonesomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Notonesomycin?
Yes, KEHONG BIO provides custom synthesis services for Notonesomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.