ChemSpider 2D Image | 14,16-Dihydroxy-3-(~2~H_3_)methyl(3,4,4-~2~H_3_)-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | C18H18D6O5

14,16-Dihydroxy-3-(2H3)methyl(3,4,4-2H3)-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

  • Molecular FormulaC18H18D6O5
  • Average mass326.417 Da
  • Monoisotopic mass326.200043 Da
  • ChemSpider ID76905179

  • Non-standard isotope - Non-standard isotope

More details:

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

14,16-Dihydroxy-3-(2H3)methyl(3,4,4-2H3)-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecin-1,7(8H)-dion [German] [ACD/IUPAC Name]
14,16-Dihydroxy-3-(2H3)methyl(3,4,4-2H3)-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione [ACD/IUPAC Name]
14,16-Dihydroxy-3-(2H3)méthyl(3,4,4-2H3)-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotétradécine-1,7(8H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione-3,4-d2, 3,4,5,6,9,10,11,12-octahydro-4-d-14,16-dihydroxy-3-(methyl-d3)- [ACD/Index Name]
1795020-90-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 209.2±23.6 °C
Index of Refraction: 1.526
Molar Refractivity: 85.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 440.32
ACD/KOC (pH 5.5): 2711.14
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 283.74
ACD/KOC (pH 7.4): 1747.07
Polar Surface Area: 84 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 279.1±3.0 cm3

Click to predict properties on the Chemicalize site


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