ChemSpider 2D Image | hexadecanimidic acid, N-[(1S,2R,3E)-1-[(beta-D-erythro-hexopyranosyloxy)methyl]-2-hydroxy-3-pentadecen-1-yl]-, (1E)- | C38H73NO8

hexadecanimidic acid, N-[(1S,2R,3E)-1-[(β-D-erythro-hexopyranosyloxy)methyl]-2-hydroxy-3-pentadecen-1-yl]-, (1E)-

  • Molecular FormulaC38H73NO8
  • Average mass671.988 Da
  • Monoisotopic mass671.533630 Da
  • ChemSpider ID21431300
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres


More details:






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

hexadecanimidic acid, N-[(1S,2R,3E)-1-[(β-D-erythro-hexopyranosyloxy)methyl]-2-hydroxy-3-pentadecen-1-yl]-, (1E)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 796.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 435.5±35.7 °C
Index of Refraction: 1.517
Molar Refractivity: 185.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 11.33
ACD/LogD (pH 5.5): 9.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4343042.00
ACD/LogD (pH 7.4): 9.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4368657.00
Polar Surface Area: 152 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 614.1±7.0 cm3

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