ChemSpider 2D Image | (3S,5R,6E)-7-{3-(4-Fluorophenyl)-1-[(~2~H_7_)-2-propanyl]-1H-indol-2-yl}-3,5-dihydroxy-6-heptenoic acid | C24H19D7FNO4

(3S,5R,6E)-7-{3-(4-Fluorophenyl)-1-[(2H7)-2-propanyl]-1H-indol-2-yl}-3,5-dihydroxy-6-heptenoic acid

  • Molecular FormulaC24H19D7FNO4
  • Average mass418.509 Da
  • Monoisotopic mass418.228516 Da
  • ChemSpider ID107444566

  • 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

(3S,5R,6E)-7-{3-(4-Fluorophenyl)-1-[(2H7)-2-propanyl]-1H-indol-2-yl}-3,5-dihydroxy-6-heptenoic acid [ACD/IUPAC Name]
(3S,5R,6E)-7-{3-(4-Fluorphenyl)-1-[(2H7)-2-propanyl]-1H-indol-2-yl}-3,5-dihydroxy-6-heptensäure [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-[1-(methyl-d3)ethyl-1,2,2,2-d4]-1H-indol-2-yl]-3,5-dihydroxy-, (3S,5R,6E)- [ACD/Index Name]
Acide (3S,5R,6E)-7-{3-(4-fluorophényl)-1-[(2H7)-2-propanyl]-1H-indol-2-yl}-3,5-dihydroxy-6-hepténoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 681.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.1±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 15.62
ACD/KOC (pH 5.5): 103.10
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.76
Polar Surface Area: 83 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 334.2±7.0 cm3

Click to predict properties on the Chemicalize site


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