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

CAS: 34114-99-3 Cat. No.: T139560 Formula: C₁₅H₂₂O₆ Peso molecolare: 298.33 Numero 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

Panoramica

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

Specifications

Sinonimi

(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

Specifiche e purezza

≥97%(HPLC)

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Purezza

≥97%(HPLC)

Nomi e identificatori

Pubchem Sid

528767323

Sorrisi canonici

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

Isomeri 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 molecolare

298.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Dichloromethane, DMSO, Methanol. Slightly soluble in water
• Sensibilità: Light Sensitive
• Punto di ebollizione (°C): 515.25 °C at 760 mmHg
• Punto di fusione (°C): 125°C-135°C
• Peso molecolare: 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