ChemSpider 2D Image | N-[(1S,2R)-1-Hydroxy-1-phenyl-3-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-2-propanyl]decanamide | C26H42N2O6

N-[(1S,2R)-1-Hydroxy-1-phenyl-3-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-2-propanyl]decanamide

  • Molecular FormulaC26H42N2O6
  • Average mass478.621 Da
  • Monoisotopic mass478.304291 Da
  • ChemSpider ID58132054

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Decanamide, N-[(1R,2S)-2-hydroxy-2-phenyl-1-[[[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]methyl]ethyl]- [ACD/Index Name]
N-[(1S,2R)-1-Hydroxy-1-phenyl-3-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-2-propanyl]decanamid [German] [ACD/IUPAC Name]
N-[(1S,2R)-1-Hydroxy-1-phenyl-3-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-2-propanyl]decanamide [ACD/IUPAC Name]
N-[(1S,2R)-1-Hydroxy-1-phényl-3-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-2-propanyl]décanamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3350142/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 753.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.4±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 14.97
ACD/KOC (pH 5.5): 112.28
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 188.36
ACD/KOC (pH 7.4): 1412.79
Polar Surface Area: 142 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 392.9±5.0 cm3

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