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Pribolab® T-2 Toxin

CAT: 1448-MSS1023-01Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
21259-20-1

Chemical Information

T-2 Toxin

T-2 toxin is a trichothecene mycotoxin produced by fungi of the genus Fusarium. It is a common contaminant in food and feedstuffs of cereal origin and is known to cause a range of toxic effects in humans and animals. It has a role as a mycotoxin, a neurotoxin, a cardiotoxic agent, a DNA synthesis inhibitor, an apoptosis inducer, a fungal metabolite and an environmental contaminant. It is an organic heterotetracyclic compound, an acetate ester and a trichothecene. It is functionally related to a HT-2 toxin.

CAS Number21259-20-1
PubChem CID5284461
IUPAC Name[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Molecular FormulaC24H34O9
Molecular Weight466.5
XLogP0.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity881
SMILES
CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C
InChI
InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1
InChIKey
BXFOFFBJRFZBQZ-QYWOHJEZSA-N
Chemical Structure
2D Structure
2D structure of T-2 Toxin
CAS: 21259-20-1
CID: 5284461
Formula: C24H34O9
MW: 466.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.5
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass466.22028266
Monoisotopic Mass466.22028266
Topological Polar Surface Area121 Ų
Heavy Atom Count33
Formal Charge0
Complexity881
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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