TL;DR: Aoaohc (CAS 124620-50-4) is a chemical compound with molecular formula C37H52ClN9O14 and molecular weight 881.3322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R)-7-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]-[(1S)-2-[bis[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Aoaohc, Ekd 3-88, EKD-3-88, 7-((N(5)ACETYL-N(5)-HYDROXYORNITHYL-N(5)ACETYL-N(5)HYDROXYORNITHYL-N(5)-ACETYL-N(5)-HYDROXYORNITHYL-4-HYDROXYPHENYLGLYCYL)AMINO)-3-CHLORO-1-CARBA-3-CEPHEM-4-CARBOXYLIC ACID, (6R)-7-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]-[(1S)-2-[bis[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C37H52ClN9O14 |
| Molecular Weight | 881.3322 g/mol |
| XLogP | -5.3 |
| Topological Polar Surface Area (TPSA) | 352.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Exact Mass | 881.3322 Da |
| Heavy Atoms | 61 |
| Complexity | 1680.0 |
| SMILES | CC(=O)N(CCC[C@@H](C(=O)N(C1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl)[C@@H](C3=CC=C(C=C3)O)C(=O)N(C(=O)[C@H](CCCN(C(=O)C)O)N)C(=O)[C@H](CCCN(C(=O)C)O)N)N)O |
| InChIKey | BYWCMJGUZFWZBL-XZZUKVBXSA-N |
The XLogP value of -5.3 indicates that Aoaohc is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 352.0 Ų indicates high polarity, suggesting Aoaohc may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aoaohc has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Aoaohc is 124620-50-4.
The molecular formula of Aoaohc is C37H52ClN9O14.
The molecular weight of Aoaohc is 881.3322 g/mol.
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