ChemSpider 2D Image | (3R,4S)-1-[4-Fluoro(~2~H_4_)phenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone | C24H17D4F2NO3

(3R,4S)-1-[4-Fluoro(2H4)phenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone

  • Molecular FormulaC24H17D4F2NO3
  • Average mass413.450 Da
  • Monoisotopic mass413.174042 Da
  • ChemSpider ID30773407

  • 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)-1-[4-Fluor(2H4)phenyl]-3-[(3S)-3-(4-fluorphenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinon [German] [ACD/IUPAC Name]
(3R,4S)-1-[4-Fluoro(2H4)phenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone [ACD/IUPAC Name]
(3R,4S)-1-[4-Fluoro(2H4)phényl]-3-[(3S)-3-(4-fluorophényl)-3-hydroxypropyl]-4-(4-hydroxyphényl)-2-azétidinone [French] [ACD/IUPAC Name]
1093659-90-5 [RN]
2-Azetidinone, 1-(4-fluorophenyl-2,3,5,6-d4)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3R,4S)- [ACD/Index Name]
(3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone [ACD/IUPAC Name]
(3R,4S)-3-[(3S)-3-(4-Fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)azetidin-2-one
Ezetimibe D4
EZETIMIBE-D4
Ezetimibe-d4 [N-(4-fluorophenyl-d4)]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Ezetimibe D4 is deuterium labeled Ezetimibe, which is a cholesterol-absorption inhibitor, reduces levels of low-density lipoprotein (LDL) cholesterol. MedChem Express HY-17376S
      Others MedChem Express HY-17376S

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.9±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 366.41
ACD/KOC (pH 5.5): 2381.67
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 364.57
ACD/KOC (pH 7.4): 2369.71
Polar Surface Area: 61 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 306.8±3.0 cm3

Click to predict properties on the Chemicalize site


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