T-2-Tetraol - ≥97%(HPLC) , CAS No.34114-99-3

CAS: 34114-99-3 Cat. No.: T139560 Molecular Weight: 298.33 EC Number: 621-631-3 PubChem CID: 9904331

GRADE & PURITY ≥97%(HPLC)

Synonyms

(2S,2'R,3'R,4'R,5'S,5a'R,7'S,9a'R)-5a'-(Hydroxymethyl)-5',8'-dimethyl-2',3',4',5',5a',6',7',9a'-octahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepine]-3',4',7'-triol | Z00UFS2AP1 | T2 toxin Tetraol | T-2 toxin tetraol | (3.ALPHA.,4.BETA.,8.ALPHA.)-12,1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

T2-tetraol is a type-A trichothecene mycotoxin that occurs in nature
A type A trichothecene mycotoxin

Specifications

Synonyms

(2S, 2'R, 3'R, 4'R, 5'S, 5a'R, 7'S, 9a'R)-5a'-(Hydroxymethyl)-5', 8'-dimethyl-2', 3', 4', 5', 5a', 6', 7', 9a'-octahydrospiro[oxirane-2, 10'-[2, 5]methanobenzo[b]oxepine]-3', 4', 7'-triol | Z00UFS2AP1 | T2 toxin Tetraol | T-2 toxin tetraol | (3.ALPHA., 4.BETA., 8.ALPHA.)-12, 1

Specifications & Purity

≥97%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: CC1=CC2C(CC1O)(C3(C(C(C(C34CO4)O2)O)O)C)CO
• 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
• InChIKey: ZAXZBJSXSOISTF-LYFQSNBGSA-N
• 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
• 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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Sesquiterpenoids

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Saccharomyces cerevisiae (19171 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Gallus gallus (1187 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Oryctolagus cuniculus (11301 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Dichloromethane, DMSO, Methanol. Slightly soluble in water
• 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