CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Melting Point | 6 °C (sulfate form) |
| Solubility | Soluble in water ... solutions up to 250 mg/mL may be prepared |
| LogP | -7.8 |
| Henry's Law Constant | Henry's Law constant range: 8.5X10-12 to 4.1X10-8 Pa-cu m/mol (Aminoglycosides) (etc) |
| Stability/Shelf Life | Hygroscopic. /Neomycin sulfate/ |
| Optical Rotation | Crystals from methanol, MP 334-336 °C. Specific optical rotation at 25 °C for D (sodium) line = +87 deg (c = 1) /Neomycin A N-acetyl derivative/ |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Refractive Index | INDEX OF REFRACTION: 1.541 (ALPHA), ISOTROPIC /NEOMICIN SULFATE/ |
| Dissociation Constants | pKa = 12.9; pKb = 9.52 (25 °C) |
| Collision Cross Section | 238.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix] |
| Other Experimental Properties | Mol wt 322.36. Crystals from water or aqueous alcohol, decomposes at 225-226 °C, specific optical rotation at 25 °C for D (sodium) line = +112.8 deg (c = 1) /Neomycin A/ |
| Chemical Classes | Other Uses -> Pharmaceuticals |
COMPUTED DESCRIPTORS
| Molecular Weight | 614.6 g/mol |
|---|---|
| XLogP3 | -9 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 9 |
| Exact Mass | 614.31228554 g/mol |
| Monoisotopic Mass | 614.31228554 g/mol |
| Topological Polar Surface Area | 353 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 872 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 19 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Framycetin is a tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B. It has a role as an antibacterial drug, an allergen and an Escherichia coli metabolite. It is a conjugate base of a framycetin(6+).