ChemSpider 2D Image | (5E,8E,11E,14E)-N-[(2S)-1-(alpha-D-Galactopyranosyloxy)-3-hydroxy-2-propanyl]-5,8,11,14-nonadecatetraenamide | C28H47NO8

(5E,8E,11E,14E)-N-[(2S)-1-(α-D-Galactopyranosyloxy)-3-hydroxy-2-propanyl]-5,8,11,14-nonadecatetraenamide

  • Molecular FormulaC28H47NO8
  • Average mass525.675 Da
  • Monoisotopic mass525.330139 Da
  • ChemSpider ID8431794

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5E,8E,11E,14E)-N-[(2S)-1-(α-D-Galactopyranosyloxy)-3-hydroxy-2-propanyl]-5,8,11,14-nonadecatetraenamid [German] [ACD/IUPAC Name]
(5E,8E,11E,14E)-N-[(2S)-1-(α-D-Galactopyranosyloxy)-3-hydroxy-2-propanyl]-5,8,11,14-nonadecatetraenamide [ACD/IUPAC Name]
(5E,8E,11E,14E)-N-[(2S)-1-(α-D-Galactopyranosyloxy)-3-hydroxy-2-propanyl]-5,8,11,14-nonadécatétraénamide [French] [ACD/IUPAC Name]
5,8,11,14-Nonadecatetraenamide, N-[(1S)-2-(α-D-galactopyranosyloxy)-1-(hydroxymethyl)ethyl]-, (5E,8E,11E,14E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 763.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.9±6.0 kJ/mol
Flash Point: 415.7±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.18
ACD/KOC (pH 5.5): 417.62
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.18
ACD/KOC (pH 7.4): 417.62
Polar Surface Area: 149 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 447.9±5.0 cm3

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