ChemSpider 2D Image | 1-{(1R,2S,3R,4R)-4-(3-Fluorophenoxy)-3-hydroxy-2-[(2-hydroxyethyl)(methyl)amino]cyclopentyl}urea | C15H22FN3O4

1-{(1R,2S,3R,4R)-4-(3-Fluorophenoxy)-3-hydroxy-2-[(2-hydroxyethyl)(methyl)amino]cyclopentyl}urea

  • Molecular FormulaC15H22FN3O4
  • Average mass327.351 Da
  • Monoisotopic mass327.159424 Da
  • ChemSpider ID68416624

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{(1R,2S,3R,4R)-4-(3-Fluorophenoxy)-3-hydroxy-2-[(2-hydroxyethyl)(methyl)amino]cyclopentyl}urea [ACD/IUPAC Name]
1-{(1R,2S,3R,4R)-4-(3-Fluorophénoxy)-3-hydroxy-2-[(2-hydroxyéthyl)(méthyl)amino]cyclopentyl}urée [French] [ACD/IUPAC Name]
1-{(1R,2S,3R,4R)-4-(3-Fluorphenoxy)-3-hydroxy-2-[(2-hydroxyethyl)(methyl)amino]cyclopentyl}harnstoff [German] [ACD/IUPAC Name]
Urea, N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[(2-hydroxyethyl)methylamino]cyclopentyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 514.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.6±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.34
Polar Surface Area: 108 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 241.8±5.0 cm3

Click to predict properties on the Chemicalize site


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