Malonofungin
TL;DR: Malonofungin (CAS 154032-80-1) is a chemical compound with molecular formula C23H39NO9 and molecular weight 473.26248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(E,1R,2S,3S)-3-acetyloxy-1,2-dihydroxy-12-oxooctadec-4-enyl]amino]propanedioic acid
Also Known As: Malonofungin, 5-Acetoxy-2-amino-2-carboxy-3,4-dihydroxy-14-oxoicos-6-enoic acid, 2-[[(E,1R,2S,3S)-3-acetyloxy-1,2-dihydroxy-12-oxooctadec-4-enyl]amino]propanedioic acid, Propanedioic acid, (3-(acetyloxy)-1,2-dihydroxy-12-oxo-4-octadecenyl)amino-, (1R-(1R*,2S*,3S*,4E))-, Propanedioic acid,(3-(acetyloxy)-1,2-dihydroxy-12-oxo-4-octadecenyl)amino-,(1R-(1R*,2S*,3S*,4E))
Technical Specifications
| Molecular Formula | C23H39NO9 |
| Molecular Weight | 473.26248 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 21 |
| Exact Mass | 473.26248 Da |
| Heavy Atoms | 33 |
| Complexity | 621.0 |
| SMILES | CCCCCCC(=O)CCCCCC/C=C/[C@@H]([C@@H]([C@H](NC(C(=O)O)C(=O)O)O)O)OC(=O)C |
| InChIKey | RGSGTYGXVZDMSM-XJMLHANGSA-N |
Chemical Property Profile of Malonofungin
Property Insights of Malonofungin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonofungin. The TPSA of 170.0 Ų indicates high polarity, suggesting Malonofungin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Malonofungin has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Malonofungin?
The CAS number of Malonofungin is 154032-80-1.
What is the molecular formula of Malonofungin?
The molecular formula of Malonofungin is C23H39NO9.
What is the molecular weight of Malonofungin?
The molecular weight of Malonofungin is 473.26248 g/mol.
Where can I buy Malonofungin?
You can request a quote for Malonofungin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malonofungin?
Yes, CoreyChem provides custom synthesis services for Malonofungin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.