Found 8 results

Search term: MRQVBTPSVJFXHV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(2S,3R,4E)-1-(D-Allopyranosyloxy)-3-hydroxy-4-hexadecen-2-yl]hexadecanamide | C38H73NO8

N-[(2S,3R,4E)-1-(D-Allopyranosyloxy)-3-hydroxy-4-hexadecen-2-yl]hexadecanamide

  • Molecular FormulaC38H73NO8
  • Average mass671.988 Da
  • Monoisotopic mass671.533630 Da
  • ChemSpider ID17255680

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

Hexadecanamide, N-[(1S,2R,3E)-1-[(D-allopyranosyloxy)methyl]-2-hydroxy-3-pentadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1-(D-Allopyranosyloxy)-3-hydroxy-4-hexadecen-2-yl]hexadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(D-Allopyranosyloxy)-3-hydroxy-4-hexadecen-2-yl]hexadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(D-Allopyranosyloxy)-3-hydroxy-4-hexadécén-2-yl]hexadécanamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 827.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.9±6.0 kJ/mol
Flash Point: 454.5±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 190.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 10.16
ACD/LogD (pH 5.5): 9.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5602804.50
ACD/LogD (pH 7.4): 9.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5602761.50
Polar Surface Area: 149 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 628.9±5.0 cm3

Click to predict properties on the Chemicalize site


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