ChemSpider 2D Image | (7R,9S)-7,9-Diphenyl(7,8,9-~2~H_3_)-1,4-dioxaspiro[4.5]decane-8-carboxamide | C21H20D3NO3

(7R,9S)-7,9-Diphenyl(7,8,9-2H3)-1,4-dioxaspiro[4.5]decane-8-carboxamide

  • Molecular FormulaC21H20D3NO3
  • Average mass340.431 Da
  • Monoisotopic mass340.186615 Da
  • ChemSpider ID9029944

  • defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(7R,9S)-7,9-Diphenyl(7,8,9-2H3)-1,4-dioxaspiro[4.5]decan-8-carboxamid [German] [ACD/IUPAC Name]
(7R,9S)-7,9-Diphenyl(7,8,9-2H3)-1,4-dioxaspiro[4.5]decane-8-carboxamide [ACD/IUPAC Name]
(7R,9S)-7,9-Diphényl(7,8,9-2H3)-1,4-dioxaspiro[4.5]décane-8-carboxamide [French] [ACD/IUPAC Name]
1,4-Dioxaspiro[4.5]decane-7,8,9-d3-8-carboxamide, 7,9-diphenyl-, (7R,9S)- [ACD/Index 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: 557.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 242.9±26.4 °C
Index of Refraction: 1.618
Molar Refractivity: 96.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 141.84
ACD/KOC (pH 5.5): 1207.43
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.84
ACD/KOC (pH 7.4): 1207.43
Polar Surface Area: 62 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 274.8±5.0 cm3

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