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Search term: GWBNHSKURLCFRV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,5S,6E)-7-{4-[3-(4-Fluorophenyl)-3-pentanyl]phenyl}-3,5-dihydroxy-6-heptenoic acid | C24H29FO4

(3R,5S,6E)-7-{4-[3-(4-Fluorophenyl)-3-pentanyl]phenyl}-3,5-dihydroxy-6-heptenoic acid

  • Molecular FormulaC24H29FO4
  • Average mass400.483 Da
  • Monoisotopic mass400.204987 Da
  • ChemSpider ID25066388

  • 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-{4-[3-(4-Fluorophenyl)-3-pentanyl]phenyl}-3,5-dihydroxy-6-heptenoic acid [ACD/IUPAC Name]
(3R,5S,6E)-7-{4-[3-(4-Fluorphenyl)-3-pentanyl]phenyl}-3,5-dihydroxy-6-heptensäure [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[4-[1-ethyl-1-(4-fluorophenyl)propyl]phenyl]-3,5-dihydroxy-, (3R,5S,6E)- [ACD/Index Name]
Acide (3R,5S,6E)-7-{4-[3-(4-fluorophényl)-3-pentanyl]phényl}-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: 607.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.4±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 38.88
ACD/KOC (pH 5.5): 197.72
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 78 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 337.3±3.0 cm3

Click to predict properties on the Chemicalize site


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