ChemSpider 2D Image | (3R,5S,6E)-7-[4-(4-Fluorophenyl)-2,6-diisopropyl-5-{[(~2~H_3_)methyloxy]methyl}-3-pyridinyl]-3,5-dihydroxy-6-heptenoic acid | C26H31D3FNO5

(3R,5S,6E)-7-[4-(4-Fluorophenyl)-2,6-diisopropyl-5-{[(2H3)methyloxy]methyl}-3-pyridinyl]-3,5-dihydroxy-6-heptenoic acid

  • Molecular FormulaC26H31D3FNO5
  • Average mass462.569 Da
  • Monoisotopic mass462.260925 Da
  • ChemSpider ID9816330

  • 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

(3R,5S,6E)-7-[4-(4-Fluorophenyl)-2,6-diisopropyl-5-{[(2H3)methyloxy]methyl}-3-pyridinyl]-3,5-dihydroxy-6-heptenoic acid [ACD/IUPAC Name]
(3R,5S,6E)-7-[4-(4-Fluorphenyl)-2,6-diisopropyl-5-{[(2H3)methyloxy]methyl}-3-pyridinyl]-3,5-dihydroxy-6-heptensäure [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-5-[(methyl-d3-oxy)methyl]-3-pyridinyl]-3,5-dihydroxy-, (3R,5S,6E)- [ACD/Index Name]
Acide (3R,5S,6E)-7-[4-(4-fluorophényl)-2,6-diisopropyl-5-{[(2H3)méthyloxy]méthyl}-3-pyridinyl]-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: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.7±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 127.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 7.64
ACD/KOC (pH 5.5): 49.26
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.91
Polar Surface Area: 100 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 388.9±3.0 cm3

Click to predict properties on the Chemicalize site


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