Chemical Properties of T-2 Mycotoxin (CAS 21259-20-1)

T-2 Mycotoxin

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InChI
InChI=1S/C24H34O9/c1-11(2)7-17(27)33-20-12(3)8-16-18(15(20)9-29-13(4)25)23(6)21(31-14(5)26)19(28)22(32-16)24(23)10-30-24/h8,11,15-16,18-22,28H,7,9-10H2,1-6H3
InChI Key
SSHHYBPAMCLKRH-UHFFFAOYSA-N
Formula
C24H34O9
SMILES
CC(=O)OCC1C(OC(=O)CC(C)C)C(C)=CC2OC3C(O)C(OC(C)=O)C(C)(C21)C31CO1
Molecular Weight1
466.52
CAS
21259-20-1
Other Names
  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3«alpha»,4«beta»,8«alpha»)-
  • Trichothec-9-ene-3«alpha»,4«beta»,8«alpha»,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-isovalerate
  • Fusariotoxin T 2
  • Insariotoxin
  • T 2 Toxin
  • Toxin T 2
  • Scirpenol, 8-(3-methylbutyryloxy)-diacetoxy-
  • 3«alpha»-Hydroxy-4«beta»,15-diacetoxy-8«alpha»(3-methylbutyryloxy)-12,13-epoxy-trichothec-9-ene
  • 8-(3-Methylbutyryloxy)diacetoxyscirpenol
  • 4«beta»,15-Diacetoxy-8«alpha»-(3-methylbutyryloxy)-3«alpha»-hydroxy-12,13-epoxytrichothec-9-ene
  • 8«alpha»-(3-Methylbutyryloxy)-4«beta»,15-diacetoxyscirp-9-en-3«alpha»-ol
  • Mycotoxin T 2
  • NSC 138780
  • (3«alpha»,4«beta»,8«alpha»)-12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate)
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Physical Properties

Property Value Unit Source
Δf -672.46 kJ/mol Joback Calculated Property
Δfgas -1440.63 kJ/mol Joback Calculated Property
Δfus 64.73 kJ/mol Joback Calculated Property
Δvap 118.90 kJ/mol Joback Calculated Property
log10WS -3.03 Crippen Calculated Property
logPoct/wat 1.549 Crippen Calculated Property
McVol 341.210 ml/mol McGowan Calculated Property
Pc 1288.36 kPa Joback Calculated Property
Inp 3135.00 NIST
Tboil 1139.80 K Joback Calculated Property
Tc 1398.27 K Joback Calculated Property
Tfus 780.28 K Joback Calculated Property
Vc 1.296 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1379.39; 1635.19] J/mol×K [1139.80; 1398.27] Show Hide
Cp,gas 1379.39 J/mol×K 1139.80 Joback Calculated Property
Cp,gas 1415.02 J/mol×K 1182.88 Joback Calculated Property
Cp,gas 1452.91 J/mol×K 1225.96 Joback Calculated Property
Cp,gas 1493.47 J/mol×K 1269.04 Joback Calculated Property
Cp,gas 1537.10 J/mol×K 1312.11 Joback Calculated Property
Cp,gas 1584.20 J/mol×K 1355.19 Joback Calculated Property
Cp,gas 1635.19 J/mol×K 1398.27 Joback Calculated Property

Similar Compounds

T-2 toxin. Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3«alpha»,4«beta»,8«alpha»)-. Neosolaniol. Trichothec-9-ene-3-«alpha»,4-«beta»,8-«alpha»,15-tetrol, 12,13-epoxy-, 3,4,15-triacetate,8-isovalerate. Homodihydroisovaltrate. didrovaltrate. Digitoxin. Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). T-2 Tetraol. Diacetoxyscirpenol. Ouabain. «gamma»-Ponalactone. Desacetylanguidine. Vomifoliol 1A, Gly, TFA. GA3-13-O-glucoside, permethylated.

Find more compounds similar to T-2 Mycotoxin.

Sources

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