ChemSpider 2D Image | (3beta,11beta,12R)-11,12-Epoxytrichothec-9-ene-3,13-diol | C15H22O4

(3β,11β,12R)-11,12-Epoxytrichothec-9-ene-3,13-diol

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID52085052

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3β,11β,12R)-11,12-Epoxytrichothec-9-en-3,13-diol [German] [ACD/IUPAC Name]
(3β,11β,12R)-11,12-Epoxytrichothec-9-ene-3,13-diol [ACD/IUPAC Name]
(3β,11β,12R)-11,12-Époxytrichothec-9-ène-3,13-diol [French] [ACD/IUPAC Name]
Trichothec-9-ene-3,13-diol, 11,12-epoxy-, (3β,11β)- [ACD/Index Name]
90044-33-0 [RN]
sambucinol
UNII:VYS174Q62V

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

Density: 1.3±0.1 g/cm3
Boiling Point: 401.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 196.9±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.21
ACD/KOC (pH 5.5): 220.80
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.21
ACD/KOC (pH 7.4): 220.80
Polar Surface Area: 59 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 204.3±5.0 cm3

Click to predict properties on the Chemicalize site


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