ChemSpider 2D Image | (3R,4s,7S)-7-[4-Chloro(~2~H_4_)phenyl]-2-(4-fluorophenyl)-7-hydroxy-3-(4-hydroxyphenyl)-2-azaspiro[3.5]nonan-1-one | C26H19D4ClFNO3

(3R,4s,7S)-7-[4-Chloro(2H4)phenyl]-2-(4-fluorophenyl)-7-hydroxy-3-(4-hydroxyphenyl)-2-azaspiro[3.5]nonan-1-one

  • Molecular FormulaC26H19D4ClFNO3
  • Average mass455.942 Da
  • Monoisotopic mass455.160156 Da
  • ChemSpider ID76920511

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,4s,7S)-7-[4-Chlor(2H4)phenyl]-2-(4-fluorphenyl)-7-hydroxy-3-(4-hydroxyphenyl)-2-azaspiro[3.5]nonan-1-on [German] [ACD/IUPAC Name]
(3R,4s,7S)-7-[4-Chloro(2H4)phenyl]-2-(4-fluorophenyl)-7-hydroxy-3-(4-hydroxyphenyl)-2-azaspiro[3.5]nonan-1-one [ACD/IUPAC Name]
(3R,4s,7S)-7-[4-Chloro(2H4)phényl]-2-(4-fluorophényl)-7-hydroxy-3-(4-hydroxyphényl)-2-azaspiro[3.5]nonan-1-one [French] [ACD/IUPAC Name]
2-Azaspiro[3.5]nonan-1-one, 7-(4-chlorophenyl-2,3,5,6-d4)-2-(4-fluorophenyl)-7-hydroxy-3-(4-hydroxyphenyl)-, (3R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 708.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 382.0±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 121.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1674.81
ACD/KOC (pH 5.5): 7068.13
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1666.19
ACD/KOC (pH 7.4): 7031.73
Polar Surface Area: 61 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 316.7±5.0 cm3

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