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T-2-Tetraol - Standard Solution,100 μg/ml, high purity , CAS No.34114-99-3
Basic Description
Synonyms
T-2 Tetraol | T-?2 Tetraol | 34114-99-3 | T-2 toxin tetraol | Z00UFS2AP1 | Toxin T 2 tetraol | (2R,2'S,3R,4S,5S,5AR,7S,9aR)-5a-(hydroxymethyl)-5,8-dimethyl-2,3,4,5,5a,6,7,9a-octahydrospiro[2,5-methanobenzo[b]oxepine-10,2'-oxirane]-3,4,7-triol | 3-alpha,4-beta,8-alpha,1
Specifications & Purity
Standard Solution,100 μg/ml
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
T2-tetraol is a type-A trichothecene mycotoxin that occurs in nature
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Trichothecenes
Alternative Parents
Oxepanes Oxanes Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Epoxides Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Trichothecene skeleton - Oxepane - Oxane - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Primary alcohol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(1S,2R,4S,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,10,11-triol
INCHI
InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3/t8-,9+,10+,11+,12+,13+,14+,15-/m0/s1
InChIKey
ZAXZBJSXSOISTF-LYFQSNBGSA-N
Smiles
CC1=CC2C(CC1O)(C3(C(C(C(C34CO4)O2)O)O)C)CO
Isomeric SMILES
CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO
PubChem CID
9904331
Molecular Weight
298.33
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light Sensitive
Boil Point(°C)
515.25 °C at 760 mmHg
Melt Point(°C)
125°C-135°C
Molecular Weight
298.330 g/mol
XLogP3
-2.100
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
298.142 Da
Monoisotopic Mass
298.142 Da
Topological Polar Surface Area
103.000 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
520.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
8
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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