ChemSpider 2D Image | Acetyl toxin T 2 | C26H36O10

Acetyl toxin T 2

  • Molecular FormulaC26H36O10
  • Average mass508.558 Da
  • Monoisotopic mass508.230835 Da
  • ChemSpider ID10216228

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3α,4β,8α)-3,4,15-Triacetoxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate [ACD/IUPAC Name]
(3α,4β,8α)-3,4,15-Triacetoxy-12,13-epoxytrichothec-9-en-8-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
(3α,4β,8α)-3,4,15-tris(acetyloxy)-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
12,13-Epoxytrichothec-9-ene-3-α,4-β,8-α,15-tetrol 3,4,15-triacetate 8-isovalerate
21259-21-2 [RN]
3-Méthylbutanoate de (3α,4β,8α)-3,4,15-triacétoxy-12,13-époxytrichothec-9-én-8-yle [French] [ACD/IUPAC Name]
Acetyl toxin T 2
Butanoic acid, 3-methyl-, (3α,4β,8α)-3,4,15-tris(acetyloxy)-12,13-epoxytrichothec-9-en-8-yl ester [ACD/Index Name]
(1'S,2'R,4'S,7'R,9'R,10'R,11'S)-10',11'-bis(acetyloxy)-2'-[(acetyloxy)methyl]-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-4'-yl 3-methylbutanoate
Trichothecene analogue

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 552.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 233.0±30.2 °C
Index of Refraction: 1.535
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.49
ACD/KOC (pH 5.5): 797.70
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.49
ACD/KOC (pH 7.4): 797.70
Polar Surface Area: 127 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 401.0±5.0 cm3

Click to predict properties on the Chemicalize site


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