ChemSpider 2D Image | 16-Oxo(19,19,19-~2~H_3_)beyeran-18-oic acid | C20H27D3O3

16-Oxo(19,19,19-2H3)beyeran-18-oic acid

  • Molecular FormulaC20H27D3O3
  • Average mass321.469 Da
  • Monoisotopic mass321.238312 Da
  • ChemSpider ID58784337
  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

16-Oxo(19,19,19-2H3)beyeran-18-oic acid [ACD/IUPAC Name]
Acide 16-oxo(19,19,19-2H3)beyeran-18-oïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.4±6.0 kJ/mol
Flash Point: 243.5±23.3 °C
Index of Refraction: 1.551
Molar Refractivity: 88.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 129.55
ACD/KOC (pH 5.5): 640.62
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 10.14
Polar Surface Area: 54 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

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