118399-22-7
Product Name:
NODULARIN
Formula:
C41H60N8O10
Synonyms:
1,4,8,11,15-Pentaazacyclononadecane, cyclic peptide;Nodularin-R solution
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 2 mg/mL in methanol |
|---|---|
| Decomposition | Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. |
| Polymerization | Hazardous Polymerization: Will not occur. |
| Collision Cross Section | 300.71 Ų [M+H]+ |
| Chemical Classes | Nodularin |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P262:Do not get in eyes, on skin, or on clothing. 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 | 825.0 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 13 |
| Exact Mass | 824.44324014 g/mol |
| Monoisotopic Mass | 824.44324014 g/mol |
| Topological Polar Surface Area | 285 Ų |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1620 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nodularin is an ether.