ChemSpider 2D Image | (3beta,4beta,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol | C15H22O6

(3β,4β,8α)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol

  • Molecular FormulaC15H22O6
  • Average mass298.332 Da
  • Monoisotopic mass298.141632 Da
  • ChemSpider ID23224865

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,4β,8α)-12,13-Epoxytrichothec-9-en-3,4,8,15-tetrol [German] [ACD/IUPAC Name]
(3β,4β,8α)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol [ACD/IUPAC Name]
(3β,4β,8α)-12,13-Époxytrichothec-9-ène-3,4,8,15-tétrol [French] [ACD/IUPAC Name]
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, (3β,4β,8α)- [ACD/Index Name]
(1'S,2'R,4'S,7'R,9'R,10'S,11'S)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-ene-4',10',11'-triol
Trichothecene analogue

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

Density: 1.5±0.1 g/cm3
Boiling Point: 515.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 265.4±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 72.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.13
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.13
Polar Surface Area: 103 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 200.5±5.0 cm3

Click to predict properties on the Chemicalize site


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