19914-20-6
Product Name:
enniatin B1
Formula:
C34H59N3O9
Synonyms:
2-(N-Methyl-L-isoleucine) Enniatin B;3-Butan-2-yl-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 253 Ų [M+NH4]+ [CCS Type: TW, Method: calibrated with polyalanine] |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 653.8 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 653.42513047 g/mol |
| Monoisotopic Mass | 653.42513047 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| 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
Enniatin B1 is a natural product found in Pinus sylvestris and Fusarium tricinctum with data available.