ChemSpider 2D Image | (3beta,4alpha,11xi,12xi)-3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate | C19H26O7

(3β,4α,11ξ,12ξ)-3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate

  • Molecular FormulaC19H26O7
  • Average mass366.405 Da
  • Monoisotopic mass366.167847 Da
  • ChemSpider ID78432306

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(3β,4α,11ξ,12ξ)-3-Hydroxy-12,13-epoxytrichothec-9-en-4,15-diyl-diacetat [German] [ACD/IUPAC Name]
(3β,4α,11ξ,12ξ)-3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3β,4α,11ξ,12ξ)-3-hydroxy-12,13-époxytrichothec-9-ène-4,15-diyle [French] [ACD/IUPAC Name]
Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4,15-diacetate, (2ξ,3β,4α,5ξ,11ξ,12ξ)- [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: 471.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 162.8±22.2 °C
Index of Refraction: 1.561
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.88
ACD/KOC (pH 5.5): 138.36
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.88
ACD/KOC (pH 7.4): 138.36
Polar Surface Area: 95 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 278.6±5.0 cm3

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