ChemSpider 2D Image | N-[(2S,3R,6Z)-3-Hydroxy-1-(4-hydroxyphenyl)-6-tetradecen-2-yl]acetamide | C22H35NO3

N-[(2S,3R,6Z)-3-Hydroxy-1-(4-hydroxyphenyl)-6-tetradecen-2-yl]acetamide

  • Molecular FormulaC22H35NO3
  • Average mass361.518 Da
  • Monoisotopic mass361.261688 Da
  • ChemSpider ID40256821

  • 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

Acetamide, N-[(1S,2R,5Z)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-5-tridecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,6Z)-3-Hydroxy-1-(4-hydroxyphenyl)-6-tetradecen-2-yl]acetamid [German] [ACD/IUPAC Name]
N-[(2S,3R,6Z)-3-Hydroxy-1-(4-hydroxyphenyl)-6-tetradecen-2-yl]acetamide [ACD/IUPAC Name]
N-[(2S,3R,6Z)-3-Hydroxy-1-(4-hydroxyphényl)-6-tétradécén-2-yl]acétamide [French] [ACD/IUPAC 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: 579.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.2±30.1 °C
Index of Refraction: 1.528
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3967.82
ACD/KOC (pH 5.5): 13104.88
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3957.28
ACD/KOC (pH 7.4): 13070.09
Polar Surface Area: 70 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 349.6±3.0 cm3

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