ChemSpider 2D Image | (3alpha,6beta,7alpha)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one | C15H20O6

(3α,6β,7α)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one

  • Molecular FormulaC15H20O6
  • Average mass296.316 Da
  • Monoisotopic mass296.125977 Da
  • ChemSpider ID34978197

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,6β,7α)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-on [German] [ACD/IUPAC Name]
(3α,6β,7α)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one [ACD/IUPAC Name]
(3α,6β,7α)-3,7,15-Trihydroxy-12,13-époxytrichothec-9-én-8-one [French] [ACD/IUPAC Name]
Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3α,6β,7α)- [ACD/Index Name]
51481-10-8 [RN]
Deoxynivalenol [Wiki]
Vomitoxin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 543.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 206.9±23.6 °C
Index of Refraction: 1.632
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.90
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.90
Polar Surface Area: 100 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 199.4±5.0 cm3

Click to predict properties on the Chemicalize site


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