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

CAS: 34114-99-3 Cat. No.: T139560 Peso molecular: 298.33 Número EC: 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

Descripción general

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

Specifications

Sinónimos

(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

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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
• Peso molecular: 298.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Dichloromethane, DMSO, Methanol. Slightly soluble in water
• Sensibilidad: Light Sensitive
• Punto de ebullición (°C): 515.25 °C at 760 mmHg
• Punto de fusión (°C): 125°C-135°C
• Peso molecular: 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