ChemSpider 2D Image | (7E,9Z)-6,13-Dichloro-5,14,16-trihydroxy-3-methyl-3,4,5,6-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione | C18H18Cl2O6

(7E,9Z)-6,13-Dichloro-5,14,16-trihydroxy-3-methyl-3,4,5,6-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione

  • Molecular FormulaC18H18Cl2O6
  • Average mass401.238 Da
  • Monoisotopic mass400.048035 Da
  • ChemSpider ID24632794

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(7E,9Z)-6,13-Dichlor-5,14,16-trihydroxy-3-methyl-3,4,5,6-tetrahydro-1H-2-benzoxacyclotetradecin-1,11(12H)-dion [German] [ACD/IUPAC Name]
(7E,9Z)-6,13-Dichloro-5,14,16-trihydroxy-3-methyl-3,4,5,6-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione [ACD/IUPAC Name]
(7E,9Z)-6,13-Dichloro-5,14,16-trihydroxy-3-méthyl-3,4,5,6-tétrahydro-1H-2-benzoxacyclotétradécine-1,11(12H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 6,13-dichloro-3,4,5,6-tetrahydro-5,14,16-trihydroxy-3-methyl-, (7E,9Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 702.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.6±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 154.10
ACD/KOC (pH 5.5): 1217.77
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 9.08
ACD/KOC (pH 7.4): 71.73
Polar Surface Area: 104 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 269.5±5.0 cm3

Click to predict properties on the Chemicalize site


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