ChemSpider 2D Image | (3S,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid | C25H24FNO4

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

  • Molecular FormulaC25H24FNO4
  • Average mass421.461 Da
  • Monoisotopic mass421.168945 Da
  • ChemSpider ID26519394
  • 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

(3S,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid [ACD/IUPAC Name]
(3S,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorphenyl)-3-chinolinyl]-3,5-dihydroxy-6-heptensäure [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, (3S,5S,6E)- [ACD/Index Name]
Acide (3S,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophényl)-3-quinoléinyl]-3,5-dihydroxy-6-hepténoïque [French] [ACD/IUPAC Name]
(3s,5s,6e)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-6-heptenoic acid
(3S,5S,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid
(E,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
[688735-41-3]
688735-41-3 [RN]
MFCD19440897
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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