303-47-9
Product Name:
OCHRATOXIN A
Formula:
C20H18ClNO6
Synonyms:
N-[(3R)-(5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-L -phenylalanine;N-[(3R)-(5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-L-phenylalanine;Ochratoxin A - CAS 303-47-9 - Calbiochem;OTA
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Ochratoxin a is a white crystalline powder. (NTP, 1992) |
|---|---|
| Color/Form | Crystals from xylene ... exhibits green fluorescence |
| Melting Point | 336 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| LogP | log Kow = 4.74 |
| Stability/Shelf Life | Relatively unstable to light & air; fading and degradation upon brief exposure of chromatograms to light, especially at high humidity. |
| Optical Rotation | Specific optical rotation: -118 deg at 25 °C/D (concn = 1.1 in chloroform) |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride/ and /nitric oxides/. |
| Collision Cross Section | 194 Ų [M-H]- [CCS Type: TW, Method: calibrated with polyalanine] |
| Other Experimental Properties | Fluorescent in UV light, emitting green and blue fluorescence in acid and alkaline solution |
| Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H350:Carcinogenicity H360:Reproductive toxicity |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe 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. |
COMPUTED DESCRIPTORS
| Molecular Weight | 403.8 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 403.0822650 g/mol |
| Monoisotopic Mass | 403.0822650 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 608 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
Ochratoxin a is a white crystalline powder. (NTP, 1992)