ChemSpider 2D Image | (3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-8-hydroxy-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid | C25H24FNO5

(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-8-hydroxy-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid

  • Molecular FormulaC25H24FNO5
  • Average mass437.460 Da
  • Monoisotopic mass437.163849 Da
  • ChemSpider ID48061418

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-8-hydroxy-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid [ACD/IUPAC Name]
(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorphenyl)-8-hydroxy-3-chinolinyl]-3,5-dihydroxy-6-heptensäure [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-8-hydroxy-3-quinolinyl]-3,5-dihydroxy-, (3R,5S,6E)- [ACD/Index Name]
Acide (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophényl)-8-hydroxy-3-quinoléinyl]-3,5-dihydroxy-6-hepténoïque [French] [ACD/IUPAC Name]
(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-8-hydroxyquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
224320-09-6 [RN]
8-hydroxy pitavastatin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.3±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.67
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 310.1±3.0 cm3

Click to predict properties on the Chemicalize site


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