ChemSpider 2D Image | 5-{[(1R,2S,3R,4R)-2-[Benzyl(methyl)amino]-4-(3-chlorophenoxy)-3-hydroxycyclopentyl]amino}-3,3-dimethyl-5-oxopentanoic acid | C26H33ClN2O5

5-{[(1R,2S,3R,4R)-2-[Benzyl(methyl)amino]-4-(3-chlorophenoxy)-3-hydroxycyclopentyl]amino}-3,3-dimethyl-5-oxopentanoic acid

  • Molecular FormulaC26H33ClN2O5
  • Average mass489.004 Da
  • Monoisotopic mass488.207794 Da
  • ChemSpider ID68383912

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5-{[(1R,2S,3R,4R)-2-[Benzyl(methyl)amino]-4-(3-chlorophenoxy)-3-hydroxycyclopentyl]amino}-3,3-dimethyl-5-oxopentanoic acid [ACD/IUPAC Name]
5-{[(1R,2S,3R,4R)-2-[Benzyl(methyl)amino]-4-(3-chlorphenoxy)-3-hydroxycyclopentyl]amino}-3,3-dimethyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-{[(1R,2S,3R,4R)-2-[benzyl(méthyl)amino]-4-(3-chlorophénoxy)-3-hydroxycyclopentyl]amino}-3,3-diméthyl-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[(1R,2S,3R,4R)-4-(3-chlorophenoxy)-3-hydroxy-2-[methyl(phenylmethyl)amino]cyclopentyl]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: 703.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 12.14
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.06
Polar Surface Area: 99 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 381.4±5.0 cm3

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