ChemSpider 2D Image | (3S,5R,6E)-7-[3-(4-Fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid | C21H20FNO4

(3S,5R,6E)-7-[3-(4-Fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid

  • Molecular FormulaC21H20FNO4
  • Average mass369.386 Da
  • Monoisotopic mass369.137634 Da
  • ChemSpider ID30776732
  • 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,5R,6E)-7-[3-(4-Fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid [ACD/IUPAC Name]
(3S,5R,6E)-7-[3-(4-Fluorphenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptensäure [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-, (3S,5R,6E)- [ACD/Index Name]
Acide (3S,5R,6E)-7-[3-(4-fluorophényl)-1H-indol-2-yl]-3,5-dihydroxy-6-hepténoïque [French] [ACD/IUPAC Name]
(3S,5R,6E)-7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
N-Deisopropyl-fluvastatin

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 704.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.1±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 3.19
ACD/KOC (pH 5.5): 33.21
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 268.8±3.0 cm3

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