Desalaninebenanomicin A
TL;DR: Desalaninebenanomicin A (CAS 145660-37-3) is a chemical compound with molecular formula C36H36O18 and molecular weight 756.1902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
Also Known As: Desalaninebenanomicin A, Desalanylbenanomicin A, Benanomicin A, desala-, Benanomicin A, desalanyl-, 5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C36H36O18 |
| Molecular Weight | 756.1902 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 300.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 756.1902 Da |
| Heavy Atoms | 54 |
| Complexity | 1420.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)O |
| InChIKey | ZUGAIHBEYSBXRE-UHFFFAOYSA-N |
Chemical Property Profile of Desalaninebenanomicin A
Property Insights of Desalaninebenanomicin A
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desalaninebenanomicin A. The TPSA of 300.0 Ų indicates high polarity, suggesting Desalaninebenanomicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desalaninebenanomicin A has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Desalaninebenanomicin A?
The CAS number of Desalaninebenanomicin A is 145660-37-3.
What is the molecular formula of Desalaninebenanomicin A?
The molecular formula of Desalaninebenanomicin A is C36H36O18.
What is the molecular weight of Desalaninebenanomicin A?
The molecular weight of Desalaninebenanomicin A is 756.1902 g/mol.
Where can I buy Desalaninebenanomicin A?
You can request a quote for Desalaninebenanomicin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Desalaninebenanomicin A?
Yes, CoreyChem provides custom synthesis services for Desalaninebenanomicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.