ChemSpider 2D Image | (3alpha,4beta,12xi)-12,13-Epoxytrichothec-9-ene-3,4,15-triol | C15H22O5

(3α,4β,12ξ)-12,13-Epoxytrichothec-9-ene-3,4,15-triol

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID109121630

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3α,4β,12ξ)-12,13-Epoxytrichothec-9-en-3,4,15-triol [German] [ACD/IUPAC Name]
(3α,4β,12ξ)-12,13-Epoxytrichothec-9-ene-3,4,15-triol [ACD/IUPAC Name]
(3α,4β,12ξ)-12,13-Époxytrichothec-9-ène-3,4,15-triol [French] [ACD/IUPAC Name]
Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, (2α,3β,4α,6β,11β,12ξ)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 459.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 231.6±28.7 °C
Index of Refraction: 1.619
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.51
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 39.51
Polar Surface Area: 82 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 202.5±5.0 cm3

Click to predict properties on the Chemicalize site


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