ChemSpider 2D Image | (11E)-14,16-Dihydroxy-3-(~2~H_3_)methyl(3,4,4-~2~H_3_)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | C18H16D6O5

(11E)-14,16-Dihydroxy-3-(2H3)methyl(3,4,4-2H3)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

  • Molecular FormulaC18H16D6O5
  • Average mass324.401 Da
  • Monoisotopic mass324.184387 Da
  • ChemSpider ID23977245
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(11E)-14,16-Dihydroxy-3-(2H3)methyl(3,4,4-2H3)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1,7(8H)-dion [German] [ACD/IUPAC Name]
(11E)-14,16-Dihydroxy-3-(2H3)methyl(3,4,4-2H3)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione [ACD/IUPAC Name]
(11E)-14,16-Dihydroxy-3-(2H3)méthyl(3,4,4-2H3)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotétradécine-1,7(8H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione-3,4-d2, 3,4,5,6,9,10-hexahydro-4-d-14,16-dihydroxy-3-(methyl-d3)-, (11E)- [ACD/Index Name]
1185236-04-7 [RN]
rac Zearalenone-d6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 600.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 219.5±25.0 °C
Index of Refraction: 1.539
Molar Refractivity: 85.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 598.16
ACD/KOC (pH 5.5): 3370.72
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 300.77
ACD/KOC (pH 7.4): 1694.88
Polar Surface Area: 84 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 272.4±3.0 cm3

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