3'-Deoxy-3'-fluorokanamycin B
TL;DR: 3'-Deoxy-3'-fluorokanamycin B (CAS 100343-25-7) is a chemical compound with molecular formula C18H36FN5O9 and molecular weight 485.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
Also Known As: 3'-Deoxy-3'-fluorokanamycin B, 3/'-deoxy-3/'-fluorokanamycin B, 4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol, (6R,7R)-7-(2-Chloro-acetylamino)-3-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 2''-O-Acetyl-3'-O-benzylsulfonyl-6'-N,4'-O-carbonyl-4'',6''-O-cyclohexylidene-1,3,2',3''-tetra-N-tosylkanamycin B
| Molecular Formula | C18H36FN5O9 |
|---|---|
| Molecular Weight | 485.25 g/mol |
| LogP | -6.2 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.2497 |
| Heavy Atoms | 33 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 100343-25-7 |
|---|---|
| SMILES | C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)F)N)N |
| InChIKey | DFFQPQNEFBOPNQ-UHFFFAOYSA-N |
Product Overview
3'-Deoxy-3'-fluorokanamycin B (CAS 100343-25-7), with molecular formula C18H36FN5O9 and molecular weight 485.25 g/mol. IUPAC: 4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol.
Chemical Property Profile of 3'-Deoxy-3'-fluorokanamycin B
Property Insights of 3'-Deoxy-3'-fluorokanamycin B
The XLogP value of -6.2 indicates that 3'-Deoxy-3'-fluorokanamycin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 268.0 Ų indicates high polarity, suggesting 3'-Deoxy-3'-fluorokanamycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Deoxy-3'-fluorokanamycin B 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 3'-Deoxy-3'-fluorokanamycin B?
The CAS number of 3'-Deoxy-3'-fluorokanamycin B is 100343-25-7.
What is the molecular formula of 3'-Deoxy-3'-fluorokanamycin B?
The molecular formula of 3'-Deoxy-3'-fluorokanamycin B is C18H36FN5O9.
What is the molecular weight of 3'-Deoxy-3'-fluorokanamycin B?
The molecular weight of 3'-Deoxy-3'-fluorokanamycin B is 485.25 g/mol.
Where can I buy 3'-Deoxy-3'-fluorokanamycin B?
You can request a quote for 3'-Deoxy-3'-fluorokanamycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Deoxy-3'-fluorokanamycin B?
Yes, KEHONG BIO provides custom synthesis services for 3'-Deoxy-3'-fluorokanamycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.