5-Deoxy-5-fluoroarbekacin
TL;DR: 5-Deoxy-5-fluoroarbekacin (CAS 119783-91-4) is a chemical compound with molecular formula C22H43FN6O9 and molecular weight 554.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-fluorocyclohexyl]-2-hydroxybutanamide
Also Known As: 5-Deoxy-5-fluoroarbekacin, 5-Deoxy-5-epi-5-fluoro-arbekacin, (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-fluorocyclohexyl]-2-hydroxybutanamide, (S)-O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2,5-dideoxy-5-fluoro-D-streptamine, (2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-fluorocyclohexyl}-2-hydroxybutanamide
| Molecular Formula | C22H43FN6O9 |
|---|---|
| Molecular Weight | 554.31 g/mol |
| LogP | -5.7 |
| Topological Polar Surface Area | 277.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 554.30756 |
| Heavy Atoms | 38 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 119783-91-4 |
|---|---|
| SMILES | C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2F)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N |
| InChIKey | ZJNVEFMFKDNZMU-VGBYYLGDSA-N |
Product Overview
5-Deoxy-5-fluoroarbekacin (CAS 119783-91-4), with molecular formula C22H43FN6O9 and molecular weight 554.31 g/mol. IUPAC: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-fluorocyclohexyl]-2-hydroxybutanamide.
Chemical Property Profile of 5-Deoxy-5-fluoroarbekacin
Property Insights of 5-Deoxy-5-fluoroarbekacin
The XLogP value of -5.7 indicates that 5-Deoxy-5-fluoroarbekacin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 277.0 Ų indicates high polarity, suggesting 5-Deoxy-5-fluoroarbekacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Deoxy-5-fluoroarbekacin has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Deoxy-5-fluoroarbekacin?
The CAS number of 5-Deoxy-5-fluoroarbekacin is 119783-91-4.
What is the molecular formula of 5-Deoxy-5-fluoroarbekacin?
The molecular formula of 5-Deoxy-5-fluoroarbekacin is C22H43FN6O9.
What is the molecular weight of 5-Deoxy-5-fluoroarbekacin?
The molecular weight of 5-Deoxy-5-fluoroarbekacin is 554.31 g/mol.
Where can I buy 5-Deoxy-5-fluoroarbekacin?
You can request a quote for 5-Deoxy-5-fluoroarbekacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Deoxy-5-fluoroarbekacin?
Yes, KEHONG BIO provides custom synthesis services for 5-Deoxy-5-fluoroarbekacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.