epoxomicin
TL;DR: epoxomicin (CAS 134381-21-8) is a chemical compound with molecular formula C30H53N5O8 and molecular weight 611.3894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-3-hydroxy-1-[[(2S)-4-methyl-1-[[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylpentanamide
Also Known As: epoxomicin, (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methyl-pentanoyl]amino]-N-[(1S,2R)-2-hydroxy-1-[[(1S)-3-methyl-1-[[2-[(2R)-2-methyloxiran-2-yl]-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]propyl]-3-methyl-pentanamide, (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-3-hydroxy-1-[[(2S)-4-methyl-1-[[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylpentanamide, L-Threoninamide, N-acetyl-N-methyl-L-isoleucyl-L-isoleucyl-N-[(1S)-3-methyl-1-[[(2R)-2-methyloxiranyl]carbonyl]butyl]-
Technical Specifications
| Molecular Formula | C30H53N5O8 |
| Molecular Weight | 611.3894 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 187.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 611.3894 Da |
| Heavy Atoms | 43 |
| Complexity | 1020.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)[C@]1(CO1)C)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)C |
| InChIKey | IODAWNKEPAAFFR-BWEKBLAESA-N |
Chemical Property Profile of epoxomicin
Property Insights of epoxomicin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for epoxomicin. The TPSA of 187.0 Ų indicates high polarity, suggesting epoxomicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, epoxomicin has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of epoxomicin?
The CAS number of epoxomicin is 134381-21-8.
What is the molecular formula of epoxomicin?
The molecular formula of epoxomicin is C30H53N5O8.
What is the molecular weight of epoxomicin?
The molecular weight of epoxomicin is 611.3894 g/mol.
Where can I buy epoxomicin?
You can request a quote for epoxomicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for epoxomicin?
Yes, CoreyChem provides custom synthesis services for epoxomicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.