ChemSpider 2D Image | (4beta,11xi,12xi)-12,13-Epoxytrichothec-9-ene-4,15-diyl diacetate | C19H26O6

(4β,11ξ,12ξ)-12,13-Epoxytrichothec-9-ene-4,15-diyl diacetate

  • Molecular FormulaC19H26O6
  • Average mass350.406 Da
  • Monoisotopic mass350.172943 Da
  • ChemSpider ID114779227

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(4β,11ξ,12ξ)-12,13-Epoxytrichothec-9-en-4,15-diyl-diacetat [German] [ACD/IUPAC Name]
(4β,11ξ,12ξ)-12,13-Epoxytrichothec-9-ene-4,15-diyl diacetate [ACD/IUPAC Name]
Diacétate de (4β,11ξ,12ξ)-12,13-époxytrichothec-9-ène-4,15-diyle [French] [ACD/IUPAC Name]
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate, (2α,4β,11ξ,12ξ)- [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: 429.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 186.3±28.8 °C
Index of Refraction: 1.545
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.10
ACD/KOC (pH 5.5): 407.51
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.10
ACD/KOC (pH 7.4): 407.51
Polar Surface Area: 74 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 280.6±5.0 cm3

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