Desferriferribactin
TL;DR: Desferriferribactin (CAS 140198-04-5) is a chemical compound with molecular formula C46H73N13O16 and molecular weight 1063.5298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[1-[6-[[(2R)-1-[[(2S)-5-[acetyl(hydroxy)amino]-1-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-1-oxopentan-2-yl]-(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-2-(4-hydroxyphenyl)ethyl]amino]-2-amino-5-oxopentanoic acid
Also Known As: Desferriferribactin, Desferri-ferribactin, 5-[[1-[6-[[(2R)-1-[[(2S)-5-[acetyl(hydroxy)amino]-1-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-1-oxopentan-2-yl]-(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-2-(4-hydroxyphenyl)ethyl]amino]-2-amino-5-oxopentanoic acid, L-Ornithinamide, N-((2-(1-((4-amino-4-carboxy-1-oxobutyl)amino)-2-(4-hydroxyphenyl)ethyl)-1,4,5,6-tetrahydro-4-pyrimidinyl)carbonyl)-D-alanyl-L-lysyl-L-threonyl-D-seryl-N5-acetyl-N5-hydroxy-N-(1-hydroxy-2-oxo-3-piperidinyl)-, (1(4S-(2(S*,(R*)),4R*)),5(S))-
Technical Specifications
| Molecular Formula | C46H73N13O16 |
| Molecular Weight | 1063.5298 g/mol |
| XLogP | -7.9 |
| Topological Polar Surface Area (TPSA) | 464.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 29 |
| Exact Mass | 1063.5298 Da |
| Heavy Atoms | 75 |
| Complexity | 2030.0 |
| SMILES | C[C@H]([C@@H](C(=O)N[C@H](CO)C(=O)NC(=O)[C@H](CCCN(C(=O)C)O)N(C1CCCN(C1=O)O)C(=O)[C@@H](C)NC(=O)C2CCN=C(N2)C(CC3=CC=C(C=C3)O)NC(=O)CCC(C(=O)O)N)NC(=O)[C@H](CCCCN)N)O |
| InChIKey | FXHLBLCQXZGKBG-ZLMDDTCOSA-N |
Chemical Property Profile of Desferriferribactin
Property Insights of Desferriferribactin
The XLogP value of -7.9 indicates that Desferriferribactin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 464.0 Ų indicates high polarity, suggesting Desferriferribactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desferriferribactin has 15 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Desferriferribactin?
The CAS number of Desferriferribactin is 140198-04-5.
What is the molecular formula of Desferriferribactin?
The molecular formula of Desferriferribactin is C46H73N13O16.
What is the molecular weight of Desferriferribactin?
The molecular weight of Desferriferribactin is 1063.5298 g/mol.
Where can I buy Desferriferribactin?
You can request a quote for Desferriferribactin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Desferriferribactin?
Yes, CoreyChem provides custom synthesis services for Desferriferribactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.