ChemSpider 2D Image | (3R,5S,6E)-7-{2-Cyclopropyl-4-[4-fluoro(~2~H_4_)phenyl]-3-quinolinyl}-3,5-dihydroxy-6-heptenoic acid | C25H20D4FNO4

(3R,5S,6E)-7-{2-Cyclopropyl-4-[4-fluoro(2H4)phenyl]-3-quinolinyl}-3,5-dihydroxy-6-heptenoic acid

  • Molecular FormulaC25H20D4FNO4
  • Average mass425.485 Da
  • Monoisotopic mass425.194031 Da
  • ChemSpider ID38772386

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,5S,6E)-7-{2-Cyclopropyl-4-[4-fluor(2H4)phenyl]-3-chinolinyl}-3,5-dihydroxy-6-heptensäure [German] [ACD/IUPAC Name]
(3R,5S,6E)-7-{2-Cyclopropyl-4-[4-fluoro(2H4)phenyl]-3-quinolinyl}-3,5-dihydroxy-6-heptenoic acid [ACD/IUPAC Name]
6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl-2,3,5,6-d4)-3-quinolinyl]-3,5-dihydroxy-, (3R,5S,6E)- [ACD/Index Name]
Acide (3R,5S,6E)-7-{2-cyclopropyl-4-[4-fluoro(2H4)phényl]-3-quinoléinyl}-3,5-dihydroxy-6-hepténoïque [French] [ACD/IUPAC Name]
(E,3R,5S)-7-[2-cyclopropyl-4-(2,3,5,6-tetradeuterio-4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
2070009-71-9 [RN]
NK-104 D4
Pitavastatin D4
Pitavastatin-d4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.3±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 10.35
ACD/KOC (pH 5.5): 73.31
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.44
Polar Surface Area: 91 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 311.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement