26645-35-2
Product Name:
PHALLACIDIN
Formula:
C37H50N8O13S
Synonyms:
Cyclo(Ala-2-Mercapto-Trp-4,5-Dihydroxy-Leu-Val-erythro-3-Hydroxy-D -Asp-Cys-cis-4-Hydroxy-Pro)
Inquiry
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P262:Do not get in eyes, on skin, or on clothing. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 846.9 g/mol |
|---|---|
| XLogP3 | -1.5 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 6 |
| Exact Mass | 846.32180485 g/mol |
| Monoisotopic Mass | 846.32180485 g/mol |
| Topological Polar Surface Area | 354 Ų |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1660 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 10 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |