ChemSpider 2D Image | 5-{[(1R,2R,3R)-3-(3-Fluoro-2-phenoxyphenoxy)-2-hydroxycyclohexyl]amino}-3,3-dimethyl-5-oxopentanoic acid | C25H30FNO6

5-{[(1R,2R,3R)-3-(3-Fluoro-2-phenoxyphenoxy)-2-hydroxycyclohexyl]amino}-3,3-dimethyl-5-oxopentanoic acid

  • Molecular FormulaC25H30FNO6
  • Average mass459.507 Da
  • Monoisotopic mass459.205719 Da
  • ChemSpider ID68411897

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-{[(1R,2R,3R)-3-(3-Fluor-2-phenoxyphenoxy)-2-hydroxycyclohexyl]amino}-3,3-dimethyl-5-oxopentansäure [German] [ACD/IUPAC Name]
5-{[(1R,2R,3R)-3-(3-Fluoro-2-phenoxyphenoxy)-2-hydroxycyclohexyl]amino}-3,3-dimethyl-5-oxopentanoic acid [ACD/IUPAC Name]
Acide 5-{[(1R,2R,3R)-3-(3-fluoro-2-phénoxyphénoxy)-2-hydroxycyclohexyl]amino}-3,3-diméthyl-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[(1R,2R,3R)-3-(3-fluoro-2-phenoxyphenoxy)-2-hydroxycyclohexyl]amino]-3,3-dimethyl-5-oxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.8±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 11.23
ACD/KOC (pH 5.5): 109.05
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.72
Polar Surface Area: 105 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 357.6±5.0 cm3

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