Cas no 34114-98-2 (T-2 Toxin Triol)

T-2 Toxin Triol structure
T-2 Toxin Triol structure
Product Name:T-2 Toxin Triol
CAS No:34114-98-2
MF:C20H30O7
MW:382.448007106781
CID:307645
PubChem ID:13797589
Update Time:2025-04-19

T-2 Toxin Triol Chemical and Physical Properties

Names and Identifiers

    • Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 8-(3-methylbutanoate), (3a,4b,8a)-
    • T-2-Triol
    • T-2 Toxin Triol
    • T2 TOXIN TRIOL
    • T-2 TRIOL
    • T-2-Triol solution
    • 34114-98-2
    • CHEMBL152136
    • AKOS027263660
    • (1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-10',11'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0,dodecan]-5'-en-4'-yl 3-methylbutanoate
    • HY-N6720
    • Toxin T-2 triol
    • 3-alpha,4-beta,15-Trihydroxy-8-alpha-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-ene
    • 12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 8-isovalerate
    • Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 8-isovalerate
    • 97373-21-2
    • Deacetyl-HT-2 toxin
    • [(1S,2R,4S,7R,9R,10R,11S,12S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
    • 1ST7235
    • (2R,2'S,3R,4S,5S,5AR,7S,9aR)-3,4-dihydroxy-5a-(hydroxymethyl)-5,8-dimethyl-2,3,4,5,5a,6,7,9a-octahydrospiro[2,5-methanobenzo[b]oxepine-10,2'-oxiran]-7-yl 3-methylbutanoate
    • Trichothec-9-ene, 12,13-epoxy-3-alpha,4-beta,8-alpha,15-tetrahydroxy-, 8-isovalerate
    • CS-0099764
    • J-019454
    • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-
    • Toxin T 3
    • Toxin T 2 triol
    • T 2 triol
    • 12,13-Epoxy-trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol 8-isovalerate
    • DTXSID70955659
    • Inchi： 1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3/t12-,13+,15+,16+,17+,18+,19+,20-/m0/s1
    • InChI Key： DDAUKBBLCGQHIP-CAVDVMKYSA-N
    • SMILES： O1C[C@]21[C@H]1[C@@H]([C@H]([C@]2(C)[C@@]2(CO)C[C@@H](C(C)=C[C@H]2O1)OC(CC(C)C)=O)O)O

Computed Properties

  • Exact Mass: 382.19900
  • Monoisotopic Mass: 382.199153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 675
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 109
  • XLogP3: -0.2

Experimental Properties

  • Density: 1.1504 (rough estimate)
  • Melting Point: 162°C
  • Boiling Point: 420.33°C (rough estimate)
  • Flash Point: 6℃
  • Refractive Index: 1.4800 (estimate)
  • PSA: 108.75000
  • LogP: 0.55110
  • Sensitiveness: Sensitive to light
  • Vapor Pressure: 0.0±3.1 mmHg at 25°C

T-2 Toxin Triol Security Information

T-2 Toxin Triol Pricemore >>

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