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Search term: FPMMMZJJCYYVIK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | AGN 211334 | C31H42FN3O5

AGN 211334

  • Molecular FormulaC31H42FN3O5
  • Average mass555.681 Da
  • Monoisotopic mass555.310852 Da
  • ChemSpider ID35033212

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-Oxazolecarboximidic acid, N-(4-cyclohexylbutyl)-2-[(1R,2S,3R,4S)-3-[[2-[[(2Z)-2-(ethylimino)-2-hydroxyethyl]oxy]-5-fluorophenyl]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]
Acide N-(4-cyclohexylbutyl)-2-[(1R,2S,3R,4S)-3-(2-{[(2Z)-2-(éthylimino)-2-hydroxyéthyl]oxy}-5-fluorobenzyl)-7-oxabicyclo[2.2.1]hept-2-yl]-1,3-oxazole-4-carboximidique [French] [ACD/IUPAC Name]
AGN 211334
N-(4-Cyclohexylbutyl)-2-[(1R,2S,3R,4S)-3-(2-{[(2Z)-2-(ethylimino)-2-hydroxyethyl]oxy}-5-fluorbenzyl)-7-oxabicyclo[2.2.1]hept-2-yl]-1,3-oxazol-4-carboximidsäure [German] [ACD/IUPAC Name]
N-(4-Cyclohexylbutyl)-2-[(1R,2S,3R,4S)-3-(2-{[(2Z)-2-(ethylimino)-2-hydroxyethyl]oxy}-5-fluorobenzyl)-7-oxabicyclo[2.2.1]hept-2-yl]-1,3-oxazole-4-carboximidic acid [ACD/IUPAC Name]
AGN211334
AGN-211334
AGN-211334|AGN211334

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.3±35.7 °C
Index of Refraction: 1.622
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 71.24
ACD/KOC (pH 5.5): 226.42
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 69.11
ACD/KOC (pH 7.4): 219.67
Polar Surface Area: 110 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 418.4±7.0 cm3

Click to predict properties on the Chemicalize site


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