CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Yellow, crystalline pigment |
| Melting Point | 184 °C (from ether); 199 °C (from chloroform); 214 °C (from ligroin) |
| Solubility | Very soluble in methanol, ethanol, cold dioxane, diethylene glucol, ether, ethyl acetate, acetone, carbon tetrachloride, pyridine, chloroform, DMF, lipds. Freely soluble (with slow desomposition) in dilute aqueous solutions of ammonia and sodium carbonate. Slightly soluble in glycerol, cyclohexane. Insoluble in water. |
| Optical Rotation | Bright yellow crystals from acetone, mp 181-184 °C (decomposes). Specific optical rotation: -386 deg to -390 deg at 29 °C/D (concentration = 0.5 g/100g solution in CHCL3) /Gossyol R-Form/ |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Collision Cross Section | 228.1 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | When heated to decomposition it emits acrid smoke and irritating fumes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 518.6 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 518.19406791 g/mol |
| Monoisotopic Mass | 518.19406791 g/mol |
| Topological Polar Surface Area | 156 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 780 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Gossypol has been used in trials studying the treatment of Non-small Cell Lung Cancer.