ChemSpider 2D Image | 4-[(2S,3R,6Z)-2-Amino-3-hydroxy-6-tetradecen-1-yl]phenol | C20H33NO2

4-[(2S,3R,6Z)-2-Amino-3-hydroxy-6-tetradecen-1-yl]phenol

  • Molecular FormulaC20H33NO2
  • Average mass319.482 Da
  • Monoisotopic mass319.251129 Da
  • ChemSpider ID40256816

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(2S,3R,6Z)-2-Amino-3-hydroxy-6-tetradecen-1-yl]phenol [German] [ACD/IUPAC Name]
4-[(2S,3R,6Z)-2-Amino-3-hydroxy-6-tetradecen-1-yl]phenol [ACD/IUPAC Name]
4-[(2S,3R,6Z)-2-Amino-3-hydroxy-6-tétradécén-1-yl]phénol [French] [ACD/IUPAC Name]
Benzenepropanol, β-amino-4-hydroxy-α-[(3Z)-3-undecen-1-yl]-, (αR,βS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 491.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 251.0±28.7 °C
Index of Refraction: 1.538
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 8.46
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 10.95
ACD/KOC (pH 7.4): 40.03
Polar Surface Area: 66 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

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