ChemSpider 2D Image | N-{[(1r,3R,4S)-3,4-Dihydroxy-1-{[4-(methylsulfonyl)phenoxy]methyl}cyclopentyl]methyl}cyclopentanecarboxamide | C20H29NO6S

N-{[(1r,3R,4S)-3,4-Dihydroxy-1-{[4-(methylsulfonyl)phenoxy]methyl}cyclopentyl]methyl}cyclopentanecarboxamide

  • Molecular FormulaC20H29NO6S
  • Average mass411.512 Da
  • Monoisotopic mass411.171570 Da
  • ChemSpider ID29855750

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Cyclopentanecarboxamide, N-[[(1α,3α,4α)-3,4-dihydroxy-1-[[4-(methylsulfonyl)phenoxy]methyl]cyclopentyl]methyl]- [ACD/Index Name]
N-{[(1r,3R,4S)-3,4-Dihydroxy-1-{[4-(methylsulfonyl)phenoxy]methyl}cyclopentyl]methyl}cyclopentancarboxamid [German] [ACD/IUPAC Name]
N-{[(1r,3R,4S)-3,4-Dihydroxy-1-{[4-(methylsulfonyl)phenoxy]methyl}cyclopentyl]methyl}cyclopentanecarboxamide [ACD/IUPAC Name]
N-{[(1r,3R,4S)-3,4-Dihydroxy-1-{[4-(méthylsulfonyl)phénoxy]méthyl}cyclopentyl]méthyl}cyclopentanecarboxamide [French] [ACD/IUPAC 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: 676.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 363.0±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 104.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 50.10
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 50.10
Polar Surface Area: 121 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 317.2±3.0 cm3

Click to predict properties on the Chemicalize site


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