50722-38-8
Product Name:
3-ACETYLDEOXYNIVALENOL
Formula:
C17H22O7
Synonyms:
3α-Acetoxy-7α,15-dihydroxy-12,13-epoxytrichothec-9-en-8-one;3α-Acetylvomitoxin;3-AcDON;3-ADON
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 196 Ų [M+H3C2O2]- [CCS Type: TW, Method: calibrated with polyalanine] |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H300:Acute toxicity,oral |
| 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 | 338.4 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 338.13655304 g/mol |
| Monoisotopic Mass | 338.13655304 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 657 |
| 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
3-acetyldeoxynivalenol is a trichothecene mycotoxin that is deoxynivalenol acetylated on the oxygen at C-3. A skin and eye irritant, along with its 15-acetyl regioisomer and its parent deoxynivalenol it is considered among the most commonly and widely distributed cereal contaminants. It has a role as an epitope and a mycotoxin. It is functionally related to a deoxynivalenol.