ChemSpider 2D Image | (2alpha,4beta,6beta,11beta)-12,13-Epoxytrichothec-9-ene-4,15-diol | C15H22O4

(2α,4β,6β,11β)-12,13-Epoxytrichothec-9-ene-4,15-diol

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID62304793

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2α,4α,5α,6β,11β)-12,13-Epoxytrichothec-9-en-4,15-diol [German] [ACD/IUPAC Name]
(2α,4α,5α,6β,11β)-12,13-Epoxytrichothec-9-ene-4,15-diol [ACD/IUPAC Name]
(2α,4α,5α,6β,11β)-12,13-Époxytrichothec-9-ène-4,15-diol [French] [ACD/IUPAC Name]
(2α,4β,6β,11β)-12,13-Epoxytrichothec-9-en-4,15-diol [German] [ACD/IUPAC Name]
(2α,4β,6β,11β)-12,13-Epoxytrichothec-9-ene-4,15-diol [ACD/IUPAC Name]
(2α,4β,6β,11β)-12,13-Époxytrichothec-9-ène-4,15-diol [French] [ACD/IUPAC Name]
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, (4α,5α,6β,11β)- [ACD/Index Name]
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, (4β,6β,11β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 422.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±6.0 kJ/mol
Flash Point: 209.0±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 88.87
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 88.87
Polar Surface Area: 62 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 204.5±5.0 cm3

Click to predict properties on the Chemicalize site


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