ChemSpider 2D Image | (3alpha,12R)-12,13-Epoxytrichothec-9-en-3-yl acetate | C17H24O4

(3α,12R)-12,13-Epoxytrichothec-9-en-3-yl acetate

  • Molecular FormulaC17H24O4
  • Average mass292.370 Da
  • Monoisotopic mass292.167450 Da
  • ChemSpider ID22943163

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3α,12R)-12,13-Epoxytrichothec-9-en-3-yl acetate [ACD/IUPAC Name]
(3α,12R)-12,13-Epoxytrichothec-9-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,12R)-12,13-époxytrichothec-9-én-3-yle [French] [ACD/IUPAC Name]
Trichothec-9-en-3-ol, 12,13-epoxy-, acetate, (3α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 371.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 161.0±27.9 °C
Index of Refraction: 1.545
Molar Refractivity: 77.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.19
ACD/KOC (pH 5.5): 436.10
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.19
ACD/KOC (pH 7.4): 436.10
Polar Surface Area: 48 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 245.2±5.0 cm3

Click to predict properties on the Chemicalize site


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